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Forthcoming article in Acta Crystallographica Section E Crystallographic Communications



Acta Crystallographica Section E: Crystallographic Communications is the IUCr's popular open-access structural journal. It provides a simple and easily accessible publication mechanism for inorganic, metal-organic and organic crystal structure determinati



 



Crystal structures of di­aquadi-μ-hydroxido-tris­[tri­methyl­tin(IV)] diformatotri­methyl­stannate(IV) and di-μ-hydroxido-tris­[tri­methyl­tin(IV)] chloride monohydrate
The title compounds are partially condensed products of hydrolysed tri­methyl­tin chloride. In the two structures, short cationic tris­tannatoxanes (C9H29O2Sn3) are bridged by a diformatotri­methyl­tin anion or a chloride anion.



Di­methyl­ammonium 2,4,5-tri­carb­oxy­benzoate: an example of the deca­rbonylation of N,N-di­methyl­formamide in the presence of a metal and a benzene­polycarb­oxy­lic acid. Is zirconium(IV) the Tsotsi?
The paper reports the mol­ecular and crystal structure of the salt (CH3)2NH2+·C10H5O8−, with the cation formed by the deca­rbonylation of DMF solvent.



[N-Benzyl-N-(2-phenyl­eth­yl)di­thio­carbamato-κ2S,S′]tri­phenyl­tin(IV) and [bis­(2-meth­oxy­eth­yl)di­thio­carbamato-κ2S,S′]tri­phenyl­tin(IV): crystal structures and Hirshfeld surface analysis
Heavily distorted trigonal–pyramidal coordination geometries, each based on a C3S2 donor set and with the loosely bound S atom approximately trans to one of the ipso-C atoms, are found in the title compounds (C6H5)3Sn[S2CN(Ben)CH2CH2Ph] and (C6H5)3Sn[S2CN(CH2CH2OMe)2].



A second triclinic polymorph of azimsulfuron
The title compound crystallizes with two mol­ecules in the asymmetric unit, each mol­ecule adopting a `boxing-glove' shape.



Crystal structure of bis­(azido-κN)bis­(quinolin-8-amine-κ2N,N′)iron(II)
Exploring the role of azido anions led to the structure of this heteroleptic Fe complex with two azide ions and two quinolin-8-amine ligands.



Crystal structure of a mixed-ligand silver(I) complex of the non-steroidal anti-inflammatory drug diclofenac and pyrimidine
The coordination polymeric silver(I)–diclofenac complex including pyrimidine is based on a centrosymmetric carboxyl­ate O:O′-bridged dinuclear unit which is extended through N-atom donors of the pyrimidine ligand into a two-dimensional layered structure



The crystal structure of 6-(4-chloro­phen­yl)-2-(4-methyl­benz­yl)imidazo[2,1-b][1,3,4]thia­diazole-5-carbaldehyde
The title imidazo[2,1-b][1,3,4]thia­diazole derivative is non-planar, with the 4-methyl­benzyl and chloro­phenyl rings being inclined to the imidazo[2,1-b][1,3,4]thia­diazole ring system by 64.5 (1) and 3.7 (1)°, respectively.



Crystal structure of N,N′-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride dihydrate
In the title salt, C18H26N42+2·Cl−·2H2O, the N,N-bis­(pyridin-4-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dication lies on a crystallographic inversion center, and the central cyclo­hexyl ring adopts a chair conformation. In the crystal, dications, anions and solvent water mol­ecules are connected via N/C/O—H⋯Cl and N—H⋯O hydrogen bonds and C—H⋯π inter­actions, forming a three-dimensional network.



Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis­(2-hy­droxy­eth­yl)glycine anion
The mol­ecular structure of the title compound confirms the findings of FTIR, elemental analysis, ESI–MS analysis and TG analysis. By using the density functional theory (DFT) (B3LYP) method with 6-31G(d) basis set, the structure has been calculated and optimized. In the crystal, two types of O—H⋯O hydrogen bonds connect the mol­ecules, forming a two-dimensional network parallel to (001).



Crystal structure of 2-chloro-1,3-(2,6-diiso­propyl­phen­yl)-4,5-dihydro-1H-imidazol-3-ium tetra­kis­(3,5-tri­fluoro­methyl­phen­yl)borate
The salt compound presented is an example of a 2-chloro imidazolidinium structure where the formerly carbene carbon has a trigonal–planar geometry.



Crystal structures of the two epimers from the unusual thermal C6-epimerization of 5-oxo-1,2,3,5,5a,6,7,9b-octa­hydro-7,9a-ep­oxy­pyrrolo­[2,1-a]iso­indole-6-carb­oxy­lic acid, 5a(RS),6(SR),7(RS),9a(SR),9b(SR) and 5a(RS),6(RS),7(RS),9a(SR),9b(SR)
The two epimers from the unusual thermal C6-epimerization of 5-oxo-1,2,3,5,5a,6,7,9b-octa­hydro-7,9a-ep­oxy­pyrrolo­[2,1-a]iso­indole-6-carb­oxy­lic acid, 5a(RS),6(SR),7(RS),9a(SR),9b(SR) and 5a(RS),6(RS),7(RS),9a(SR),9b(SR) have similar geometries but differ in their hydrogen-bonded crystal-packing modes



A non-solvated form of [(Z)-O-methyl-N-(2-methyl­phen­yl)­thio­carbamato-κS](tri­phenyl­phosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis
A near linear geometry for the gold(I) atom defined by a P, S donor set is found in the title compound; an intra­molecular Au⋯O short contact is noted. Supra­molecular layers sustained by C—H⋯π and π—π inter­actions feature in the crystal.



Glycine zinc sulfate penta­hydrate: redetermination at 10 K from time-of-flight neutron Laue diffraction
We report a redetermination based on single-crystal neutron diffraction data and Raman spectra for glycine zinc sulfate penta­hydrate.



Hydrogen bonding, π–π stacking and van der Waals forces-dominated layered regions in the crystal structure of 4-amino­pyridinium hydrogen (9-phosphono­non­yl)phospho­nate
The structure of the title mol­ecular salt, [C5H7N2][(HO)2OP(CH2)9PO2(OH)], shows a three-dimensional network with hydrogen bonding, π–π stacking, and van der Waals forces dominated layered regions.



Crystal structure of Na2HfSi2O7 by Rietveld refinement
A new sodium hafnium disilicate was detected as an major inter­mediate product of a global reaction between borosilicate glass and hafnium. The composition of this phase was determined to be Na2HfSi2O7 by laboratory powder diffraction and Rietveld refinement.



Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4N)chromium(III) (oxalato-κ2O1,O2)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4N)chromium(III) bis(perchlorate) from synchrotron data
Two CrIII ions (each with site symmetry 2..) in the title compound have a distorted octa­hedral coordination environment with four N atoms of a cyclam ligands and two chloride ions or one oxalate bidentate ligand in a cis position whereby the cyclam ligands adopt a cis-V conformation. The crystal packing is stabilized by extensive hydrogen-bonding inter­actions among the cyclam N–H groups, the Cl ligands, and O atoms of the oxalate and ClO4− anions.



Crystal structure of poly[{μ3-(E)-3-[3-(carboxyl­atometh­oxy)phen­yl]acrylato-κ3O,O′:O′′:O′′′}[μ2-3-(pyridin-4-yl)-1H-pyrazole-κ2N:N′]cobalt(II)]
A two-dimensional polymeric structure based on (E)-3-(3-(carb­oxy­meth­oxy)phen­yl)acrylic acid (H2L) and 3-(pyridin-4-yl)pyrazole (pp) ligands, has been successfully synthesized under solvothermal conditions. In the crystal, helical chains formed by pp and L ligands connected to the Co metal, propagate parallel to the a axis.



Isotypic MnII and FeII binuclear complexes of the ligand 5,6-bis­(pyridin-2-yl)-pyrazine-2,3-di­carb­oxy­lic acid
The reaction of manganese dichloride and iron dichloride with the ligand 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid leads to the formation of isotypic binuclear complexes which have a cage-like structure.



Synthesis and crystal structure of 4-(2-ammonio­eth­yl)morpholin-4-ium di­chlorido­diiodido­cadmate/chlorido­tri­iodido­cadmate (0.90/0.10)
The crystal structure of a new inorganic–organic hybrid material, (C6H16N2O)[CdCl1.90I2.10], consists of 4-(2-ammonio­eth­yl)morpholin-4-ium cations and di­chlorido­diiodido­cadmate/chlorido­tri­iodido­cadmate (0.90/0.10) anions connected by hydrogen bonds into a three-dimensional network.



Crystal structures of (5RS)-(Z)-4-[5-(furan-2-yl)-3-phenyl-4,5-di­hydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5RS)-(Z)-4-[5-(furan-2-yl)-3-(thio­phen-2-yl)-4,5-di­hydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid
Stereochemical peculiarities of (5RS)-(Z)-4-[5-(furan-2-yl)-3-phenyl-4,5-di­hydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5RS)-(Z)-4-[5-(furan-2-yl)-3-(thio­phen-2-yl)-4,5-di­hydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid, studied by X-ray structural analysis, render impossible their transformation into 3b,6-ep­oxy­pyrazolo­[5,1-a]iso­indoles by a thermal intra­molecular Diels–Alder reaction of furan (the IMDAF reaction).



Crystal structure of μ-4-oxidobenzoato-κ2O1:O4-bis­[bis­(1,10-phenanthroline-κ2N,N′)copper(II)] bis­(4-hy­droxy­benzoate) 7.5-hydrate
In the hydrated complex composed of dinuclear CuII complex cations, uncoordinated 4-hy­droxy­benzoate anions and water mol­ecules of crystallization, the CuII ions are bridged by a 4-oxidobenzoate ligand, each metal ion is five-coordinated by two chelated 1,10-phenanthroline (phen) mol­ecules and one anion O atom in distorted trigonal bipyramid geometry.



Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ2N1,O)(thio­cyanato-κN)rhenium(I)
The second polymorph (monoclinic form) of the [Re(NCS){LH(Me)NO}(CO)3] complex, where LH(Me)NO is N-methyl­pyridine-2-carboxamide, has been obtained and structurally characterized by X-ray diffraction and supported by DFT calculations.



Crystal structure of 3,4a,7,7,10a-penta­methyl-3-vinyl­dodeca­hydro-1H-benzo[f]chromen-9-ol isolated from Sideritis perfoliata
In the two independent mol­ecules in the asymmetric unit of the title compound, the cyclo­hexane rings adopt a chair conformation, while the oxane rings are also puckered. In the crystal, O—H⋯ O hydrogen bonds connect adjacent mol­ecules, forming a C(6) helical chain running along the [100] direction.



Crystal structure of di­chlorido­{2-methyl-2-[(pyridin-2-ylmeth­yl)amino]­propan-1-ol-κ3N,N′,O}copper(II) from synchrotron data
The CuII ion in the title compound shows a distorted square-pyramidal coordination geometry with two N and one O atoms of the mpmapOH ligand and two Cl anions. In the crystal, mol­ecules are connected by hydrogen bonds and π–π inter­actions, forming a strong supra­molecular network along the a-axis direction.



Crystal structure of an aryl cyclo­hexyl nona­noid, an anti­proliferative mol­ecule isolated from the spice Myristica malabarica
An aryl cyclo­hexyl nona­noid, an anti­proliferative compound, has been extracted from spice from M. myristica using gradient solvent elution. In the crystal, inter­molecular hy­droxy O—H⋯Ocarbon­yl hydrogen-bonding inter­actions generate large 36-membered centrosymmetric cyclic dimers, which are then extended into one-dimensional ribbons along [1\overline{1}1].



Crystal structure of trans-di­aqua­bis­(4-cyano­benzoato-κO)bis­(N,N-di­ethyl­nicotinamide-κN)zinc(II)
In the crystal, the title centrosymmetric ZnII complex mol­ecules are linked by O—H⋯O hydrogen bonds into supra­molecular chains propagating along the [110] direction.



Crystal structure of 2-[2-(2,5-di­chloro­benz­yloxy)-2-(furan-2-yl)eth­yl]-2H-indazole
In the title compound, the indazole ring system is oriented at dihedral angles of 25.04 (4) and 5.10 (4)° o the furan and benzene rings, respectively



Crystal structure and fluorescence properties of catena-poly[[(2,2′-bi-1H-imidazole-κ2N,N′)cadmium]-di-μ-chlorido]
The title complex shows selective sensitivity to detecting nitro­benzene in DMF media due to the fluorescent quenching.



(Tris{2-[(5-chloro-2-oxido­benzyl­idene-κO)amino-κN]eth­yl}amine-κN)­ytterbium(III): crystal structure and Hirshfeld surface analysis
The title compound features an amine-N-capped octa­hedral coordination geometry for YbIII defined by an N4O3 donor set. The packing features supra­molecular layers sustained by C—H⋯O, C—H⋯π(ar­yl) and C—Cl⋯π(ar­yl) inter­actions.



Supra­molecular inter­actions in the 1:2 co-crystal of 4,4′-bipyridine and 3-chloro­thio­phene-2-carb­oxy­lic acid
The asymmetric unit comprises of one 3-chloro­thio­phene-2-carb­oxy­lic acid (3TPC) and one half of a 4,4′-bi­pyridine (BPY) mol­ecule linked together via an O–H⋯N hydrogen bond.



Crystal structure of (OC)5W(μ-dppe)W(CO)5
In the title complex two W(CO)5 moieties are bridged by a bis­(di­phenyl­phosphan­yl)ethane (dppe) ligand. Both tungsten atoms have a slightly distorted octa­hedral coordination.



Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hy­droxy-3-methylbut-1-yn-1-yl)phenol
Crystal structures of two 4-substituted derivatives of 2-acetyl­phenol are discussed comparatively with reference to modes of hydrogen bonding.



Crystal structure of 9,9′-{(1E,1′E)-[1,4-phenyl­enebis(aza­nylyl­idene)]bis­(methanylyl­idene)}bis­(2,3,6,7-tetra­hydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol)
The whole mol­ecule of the title compound is generated by inversion symmetry; the central benzene ring being situated about a crystallographic inversion center. The aromatic ring of the julolidine moiety is inclined to the central benzene ring by 33.70 (12)°, and the conformation about the C=N bonds is E. There are two intra­molecular O—H⋯N hydrogen bonds in the mol­ecule, generating S(6) ring motifs.



Crystal structure of Cr-bearing Mg3BeAl8O16, a new polytype of magnesiotaaffeite-2N′2S
The crystal structure of a new polytype of magnesiotaaffeite-2N′2S is described. The S (Mg2Al4O8) and N′ (BeMgAl4O8) modules have the stacking sequence N′SSN′′.



Two polymorphs of trans-[3-(3-nitro­phen­yl)oxiran-2-yl](phen­yl)methanone
The title compound, C15H11NO4, crystallizes in two polymorphic forms, centrosymmetric monoclinic and chiral ortho­rhom­bic. The geometry of the mol­ecules in the two polymorphs is slightly different, possibly due to inter­molecular inter­actions. A number of C—H⋯O inter­molecular inter­actions, involving both O atoms of the nitro as well the benzoyl groups, stabilize the crystal structures.



Crystal structure of 4-amino-5-chloro-2,6-di­methyl­pyrimidinium thio­phene-2,5-di­carboxyl­ate
In the title salt, the cations and anions are linked through O—H⋯O,N—H⋯O, N—H⋯N and π–π stacking inter­actions, forming double layers parallel to (101). Weak C—H⋯O and C—H⋯S hydrogen bonds connect the double layers into a three-dimensional network.



Crystal structure of non-centrosymmetric bis­(4-meth­oxy­benzyl­ammonium) tetra­chlorido­zincate
The crystal structure of the new non-centrosymmetric organic–inorganic hybrid salt (C8H12NO)2[ZnCl4], consists of 4-meth­oxy­benzyl­ammonium cations sandwiched between tetra­chlorido­zincate anionic layers running parallel to the ac plane.



Crystal structure of bis­(N,N,N′,N′-tetra­methyl­guanidinium) tetra­chlorido­cuprate(II)
The crystal structure of bis­(tetra­methyl­guanidinium) tetra­chlorido­cuprate(II) contains distorted tetra­hedral [CuCl4]2− anions and tetra­methyl­guanidinium cations held together through N—H⋯Cl and C—H⋯Cl hydrogen bonds.



Crystal structure of 4-methyl-2,6,7-trioxa-1-phosphabi­cyclo­[2.2.2]octa­ne
The title compound has a bi­cyclo­[2.2.2] structure with the P atom at the prow and the bridge-head C atom, with the bonded methyl group, at the stern. The three six-membered rings in the bi­cyclo­[2.2.2] structure have essentially identical good boat conformations.



Structural characterization of two benzene-1,2-di­amine complexes of zinc chloride: a mol­ecular compound and a co-crystal salt
The structures of two zinc complexes containing bidentate benzene-1,2-di­amine ligands are reported. (Benzene-1,2-di­amine-κ2N,N′)di­chloro­idozinc displays a distorted tetra­hedral geometry. The 1:1 co-crystal salt trans-di­aqua­bis­(4,5-di­methyl­benzene-1,2-di­amine- κ2N,N′)zinc chloride 4,5-di­methyl­benzene-1,2-di­amine exhibits a tetra­gonally distorted octa­hedral zinc coordination sphere.



The alluaudite-type crystal structures of Na2(Fe/Co)2Co(VO4)3 and Ag2(Fe/Co)2Co(VO4)3
The transition metal orthovanadates Na2(Fe/Co)2Co(VO4)3 and Ag2(Fe/Co)2Co(VO4)3 are isotypic and crystallize in an alluaudite-type structure.



N′-[(1E)-(5-Nitro­furan-2-yl)methyl­idene]thio­phene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis
The title mol­ecule is curved as seen in the dihedral angle [27.4 (2)°] between the outer rings. Supra­molecular chains about a 41 screw axis are formed by amide-N—H⋯O(carbon­yl) hydrogen bonding.



Crystal structure of the tetra­gonal polymorph of bis­(1-ethyl-3-methyl­imidazolium) tetra­bromido­cadmate
The title structure represents the tetra­gonal polymorph (the other known structure being monoclinic) and is isotypic with its [MBr4] analogues (M = Co, Ni, Zn).



Crystal structure of di­aqua­bis­(7-di­ethyl­amino-3-formyl-2-oxo-2H-chromen-4-olato-κ2O3,O4)zinc(II) dimethyl sulfoxide disolvate
A near-perfect octa­hedral zinc(II) complex coordinated to two coumarin fluoro­phores.






Crystal structures of (E)-N′-(2-hy­droxy-5-methyl­benzyl­idene)isonicotinohydrazide and (E)-N′-(5-fluoro-2-hy­droxy­benzyl­idene)isonicotinohydrazide
The title isonicotinohydrazides adopt an E conformation about the C=N bonds and in each mol­ecule there is an intra­molecular O—H⋯N hydrogen bond, forming an S(6) ring motif. In the crystals of both compounds, zigzag chains are formed via N—H⋯N hydrogen bonds, in the [10\overline{1}] the first compound and [010] for the other.



Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxo­cyclo­but-1-en-1-yl)-1H-imidazol-3-ium
In the crystal of the inner salt of the title compound, N—H⋯O and C—H⋯O hydrogen bonds form an R_{2}^{2}(9) ring motif.



Crystal structure of bis­[4-(di­methyl­amino)­pyridinium] aqua­bis­(oxalato)oxidovanadate(IV) dihydrate
The vanadium(IV) atom in the title compound is located on a twofold rotation axis and has a distorted octa­hedral coordination sphere made up from two symmetry-related oxalate ligands, one vanadyl O atom and a water mol­ecule.



Li2GeMo3O8: a novel reduced molybdenum oxide containing Mo3O13 cluster units
The title compound crystallizes in the space group P63mc and is isotypic with Li2SnMo3O8 and Li2InMo3O8. Its crystal structure contains triangular Mo3 clusters units whereby the tetra­valent oxidation state of the germanium atom leads to 8 electrons per Mo3 cluster.



Synthesis and crystal structure of [2,7,12-trimethyl-3,7,11,17-tetra­aza­bicyclo­[11.3.1]hepta­deca-1(17),13,15-triene-κ4N]copper(II) bis­(perchlorate)
A copper(II) complex of a pyridine-containing macrocycle (PyMAC) reveals a six-coordinated octa­hedral CuII complex with a tetra­dentate amino­pyridine macrocycle ligand surrounding the metal centre in a square-planar geometry. Two weakly bound perchlorate counter-ions occupy the axial sites above and below the macrocyclic plane.



Crystal structure and Hirshfeld-surface analysis of (benzene­carbo­thio­amide-κS)bromido­bis­(tri­phenylphosphane-κP)silver(I)
The mononuclear complex exhibits a distorted tetra­hedral coordination geometry about the metal atom, arising from one S atom of the benzene­carbo­thio­amide ligand, two P atoms of two tri­phenyl­phosphane mol­ecules and one bromide ion. An intra­molecular N—H⋯Br hydrogen bond is observed and in the crystal structure, inversion dimers linked by pairs of N—H⋯Br and C—H⋯Br hydrogen bonds are observed. In addition, C—H⋯π inter­actions occur, leading to [101] chains.



Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: catena-poly[[silver(I)-bis­{μ-4-[1-(5′-isopropyl-[1,1′:3′,1′′-terphen­yl]-2′-yl)-1H-imidazol-2-yl]pyridine-κ2N:N′}] nitrate methanol monosolvate monohydrate]
The reaction of AgI with the pyridyl­imidazol ligand 4-(1-(5′-isopropyl-[1,1′:3′,1′′-terphen­yl]-2′-yl)-1H-imidazol-2-yl)pyridine, afforded a nitrate-free one-dimensional looped-chain polymeric structure. The AgI cation adopts a highly distorted tetra­hedral geometry coordinated by two pyridine N atoms and two imidazole N atoms from four individual ligands.



Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis­(furan-2-yl)-4-hy­droxy-4-(thio­phen-2-yl)cyclo­hexane-1,3-di­yl]bis­(thio­phen-2-yl­methanone)
The central cyclo­hexane ring has a chair conformation. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and C—H⋯π inter­actions, forming layers parallel to (100).



Crystal structure of dimethyl 3,4,5,6-tetra­phenyl­cyclo­hexa-3,5-diene-1,2-di­carboxyl­ate
In the title compound, C34H28O4, the cyclo­hexa­diene ring has a screw-boat conformation. All four phenyl rings in the two independent mol­ecules are arranged in a propeller-like conformation. The two mol­ecules exhibit S,R- and R,S- chirality and are connected via C—H⋯O inter­molecular inter­actions.



Crystal structures of bis­(phen­oxy)silicon phthalocyanines: increasing π–π inter­actions, solubility and disorder and no halogen bonding observed
We report the syntheses and characterization of three solution-processable phen­oxy silicon phthalocyanines (SiPcs). The π–π inter­actions between the aromatic SiPc cores were studied. In all three cases, the solubility of the mol­ecules was increased by the addition of phen­oxy groups while maintaining π–π inter­actions between the aromatic SiPc groups.



Crystal structure of (E)-2-[(2-bromopyridin-3-yl)methyl­idene]-6-meth­oxy-3,4-di­hydro­naphthalen-1(2H)-one and 3-[(E)-(6-meth­oxy-1-oxo-1,2,3,4-tetra­hydro­naphthalen-2-ylidene)meth­yl]pyridin-2(1H)-one
The title compounds C17H14BrNO2 (I), and C17H15NO3 (II), were obtained from the reaction of 6-meth­oxy-3,4-di­hydro-2H-naphthalen-1-one and 2-bromo­nicotinaldehyde in ethanol. Compound (I) was the expected product and compound (II) was the oxidation product from air exposure.



Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra­kis­[4-(benzo­yloxy)phen­yl]porphyrinato-κ4N}zinc
The mol­ecular structure of the piperazine[5,10,15,20-(tetra­phenyl­benzoate)porphyrinato-κ4N]zinc(II) complex is composed of parallel pairs of layers with an inter­layer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å.



Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)2](OH)2·2H2O
The crystal structure of ruizite, ideally Ca2Mn3+2[Si4O11(OH)2](OH)2·2H2O was redetermined based on single-crystal X-ray diffraction data of a natural sample from the Wessels mine, Northern Cape Province, South Africa, in space group C2. All non-H atoms were refined with anisotropic displacement parameters and all hydrogen atoms were located, improving upon previous results and yielding a significantly lower R factor.



Crystal structure of 6-hy­droxy-5-(2-meth­oxy­phenoxy)-2,2′-bipyrimidin-4(3H)-one
In the crystal, a combination of N—H⋯O and O—H⋯O hydrogen bonds links the mol­ecules of the title compounds into a chain of rings.



Crystal structure of 2-(4-acetyl­anilino)-2-oxoethyl 3-(4-hy­droxy­phen­yl)propionate
In the crystal of the title compound, a supra­molecular sheet structure is formed through N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds.



Disodium hydrogen citrate sesquihydrate, Na2HC6H5O7(H2O)1.5
The crystal structure of disodium hydrogen citrate sesquihydrate has been solved and refined using laboratory X-ray single-crystal diffraction data, and optimized using density functional techniques.



Crystal structure of ethyl 4-[(E)-(4-hy­droxy-3-meth­oxy­benzyl­idene)amino]­benzoate: a p-hy­droxy Schiff base
The title p-hy­droxy Schiff base, is the product of a condensation reaction between benzocaine and vanillin. The benzyl­idine and benzoate rings are inclined to one another by 24.58 (8)°, and the conformation about the C=N bond is E.



Crystal structure of bis­(isonicotinamide-κN1)bis­(thio­cyanato-κN)zinc
The crystal structure consists of discrete tetra­hedral complexes, that are linked by inter­molecular N—H⋯O, C—H⋯O and N—H⋯O hydrogen bonding.



Crystal structure of hexa­kis­(dimethyl sulfoxide-κO)manganese(II) diiodide
The title salt consists of isolated octa­hedrally shaped [Mn(DMSO)6]2+ cations (DMSO is dimethyl sulfoxide) and two I− anions, held together through weak C—H⋯I inter­actions.



Crystal structure of (acetato-κO)(ethanol-κO)[(9S,17S,21S,29S)-9,17,21,29-tetra­hydroxy-18,30-dioxa­octa­cyclo­[18.10.0.02,7.08,19.09,17.011,16.021,29.023,28]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undeca­ene-10,22-dione-κ3O18,O21,O22]caesium ethanol monosolvate
The title compound, C28H16O8·Cs+CH3O−·2CH3CH2OH, was formed in the supra­molecular reaction between a vasarene analogue and caesium fluoride, where the F− ion has been replaced by acetate.



Crystal structures of organoplatinum complexes containing alkyl­eugenoxyacetate and p-chloro­aniline
In the title trans-di­chlorido­platinum(II) complexes, the central PtII atom is further coordinated by the p-chloro­aniline N atom and ethyl­enic double bond of alkyl­eugenoxyacetate.



Crystal structure of Ag2(μ-SCN)2(NH3)4
The mol­ecular structure of Ag2(SCN)2(NH3)4 consists of [Ag(SCN)(NH3)2]2 dimers with an Ag⋯Ag separation of 3.0927 (6) Å.



Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN1)cobalt(II) dihydrate
The asymmetric unit of the monomeric cobalt complex, [Co(C11H13O2)2(C6H6N2O)2(H2O)2]·2H2O, contains one half of the complex mol­ecule, one coordinating and one non-coordinating water, one 4-tert-butyl­benzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co atom lies on an inversion centre. The coordinating water mol­ecules are hydrogen bonded to the carboxyl O atoms [O ⋯ O = 2.6230 (17) Å], enclosing an S(6) hydrogen-bonding motif, while inter­molecular O—H⋯O hydrogen bonds link two of the non-coordinating water mol­ecules to the coordinating water mol­ecules and NA anions. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules, enclosing R_{2}^{2}(8), R_{2}^{2}(10) and R_{4}^{4}(12) ring motifs, forming layers parallel to (001).



Crystal structure of poly[N,N-diethyl-2-hy­droxy­ethan-1-aminium [μ3-cyanido-κ3C:C:N-di-μ-cyanido-κ4C:N-dicuprate(I)]]
A cyanide-bridged anionic three-dimensional network solid is described, with mol­ecular formula {Cu2(CN)3}−. Charge neutrality is provided by guest N-protonated N,N-di­ethyl­ethano­lamine mol­ecules.



Crystal structure of trans-N,N′-bis­(3,5-di-tert-butyl-2-hy­droxy­phen­yl)oxamide methanol monosolvate
In the title solvate, the oxamide derivative presents the same conformation as in the unsolvated mol­ecule, but the lattice solvent introduces disorder for various functional groups.



Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives
Three coumarin derivatives display intra­molecular N—H⋯O and weak C—H⋯O hydrogen bonds, which probably contribute to the approximate planarity of the mol­ecules. The supra­molecular structures feature C—H⋯O hydrogen bonds and π–π inter­actions, as confirmed by Hirshfeld surface analyses.



Crystallographic and spectroscopic characterization of (R)-O-acetyl­mandelic acid
The title compound is a resolved chiral ester derivative of mandelic acid containing an acetate group and a carb­oxy­lic acid group, which engage in inter­molecular hydrogen bonding, forming chains extending parallel to [001].



Weak inter­actions in the crystal structures of two indole derivatives
The weak inter­molecular inter­actions in two indole derivatives are described.



Crystal structure of bis­(benzoato-κO)di­butyl­tin(IV), nBu2Sn(bzo)2
The title compound, [Sn(C4H9)2(C6H5COO)2], was synthesized in order to study the inter­action between di-n-butyl­tin(IV) oxide and some carb­oxy­lic acids. Di-n-butyl­tin(IV) dibenzoate, nBu2Sn(obz)2, exhibits the same structural features as other diorganotin(IV) dibenzoates characterized by an unsymmetrical bidentate bonding mode [Δ(Sn—O) ≃ 0.4 Å] of the two benzoate groups to tin.