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Preview: Forthcoming article in Acta Crystallographica Section E: Structure Reports

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 structure of a new polymorph of di(thio­phen-3-yl) ketone
A new polymorph of di(thio­phen-3-yl) ketone differing from the previous structure by the mol­ecular assembly is reported and comparatively discussed.



Crystal structure of ebastinium 3,5-di­nitro­benzoate
In the cation of the title mol­ecular salt, one of the non-H substituents on the piperidine ring occupies an equatorial site and the other an axial site. The ions are linked into sheets by a combination of one N—H⋯O and two C—H⋯O hydrogen bonds.



4-Amino­benzoic acid 4-methyl­pyridine/4-methyl­pyridinium 4-amino­benzoate 0.58/0.42: a redetermination from the original data
The title structure, 4-amino­benzoic acid 4-methyl­pyridine/4-methyl­pyridinium 4-amino­benzoate 0.58/0.42, has been redetermined from the data published by Kumar et al. (2015). Acta Cryst. E71, o125-o126. The motivation for this redetermination follows from negligence of important features of the difference electron-density maps as well as from wrongly applied constraints, which significantly affect the structural model. The corrections affect mainly the positions of the H atoms involved in the hydrogen bonds (centered on the primary amine group for which the H atom turned out to be disordered over two positions about the centre of an N⋯H⋯O hydrogen bond) and the methyl group, which is disordered and has now been remodelled.



Unusual formation of (E)-11-(amino­methyl­ene)-8,9,10,11-tetra­hydro­pyrido[2′,3′:4,5]pyrimido[1,2-a]azepin-5(7H)-one and its crystal structure
Unusual formation of (E)-11-(amino­methyl­ene)-8,9,10,11-tetra­hydro-pyrido[2′,3′:4,5]pyrimido[1,2-a]azepin-5(7H)-one was found at formyl­ation of 8,9,10,11-tetra­hydro­pyrido[2′,3′:4,5]pyrimido[1,2-a]-azepin-5(7H)-one, which was explained by re-amination of firstly formed inter­mediate.



Crystal structure of 5-(dibenzo­furan-4-yl)-2′-deoxy­uridine
De­oxy­uridine substituted by dibenzo­furanyl at the carbon atom in base position C5 was synthesized and structurally characterized. The coupling was achieved by a Suzuki–Miyaura reaction utilizing the PTABS ligand and palladium(II) acetate.



Crystal structure of fipronil
The mol­ecular and crystal structure of the insecticide fipronil is reported. In the crystal, N—H⋯N, N—H⋯O, C—H⋯F hydrogen bonds, C—N⋯π and C—Cl⋯π inter­actions link adjacent mol­ecules, forming a three-dimensional network. In addition, there are short F⋯F inter­actions present.



Crystal structures of 2-methyl­pyridinium hydrogen 2,3-bis­(4-methyl­benzo­yloxy)succinate and bis-[4-methyl­pyridinium hydrogen 2,3-bis­(4-methyl­benzo­yloxy)succinate] penta­hydrate
The 1:1, 2-methyl­pyridium and 4-methyl­pyridinium salts of the chiral 4-methyl­benzo­yloxy-substituted succinic acid form, respectively one- and two-dimensional hydrogen-bonded crystal structures,



Crystal structures of N,N-dimethyl-(2-(2,2-diphen­yl)-2-prop-2-yn­yloxy)acet­oxy)ethyl­amine and N,N-dimethyl-(2-(2,2-diphen­yl)-2-prop-2-yn­yl­­oxy)acet­oxy)ethyl­ammonium 2,4,6-tri­nitro­phenolate
The mol­ecule of the neutral title compound and the cation in the title salt both exhibit a similar kind of disorder, even though their overall conformations are different. There are no direction-specific inter­actions between the mol­ecules of the neutral compound, but the ions in the salt are linked into hydrogen-bonded sheets.



Crystal structures of {μ2-N,N′-bis­[(pyridin-3-yl)meth­yl]ethanedi­amide}tetra­kis­(di­methyl­carbamodi­thio­ato)dizinc(II) di­methyl­formamide disolvate and {μ2-N,N′-bis­[(pyridin-3-yl)meth­yl]ethanedi­amide}tetra­kis­(di-n-propyl­carbamodi­thio­ato)dizinc(II)
The ZnII atom is each of the title compounds is coordinated by two di­thio­carbamate ligands and a pyridyl-N atom. The resultant NS4 donor set approximates a square-pyramid and trigonal-bipyramid, for the solvated and unsolvated structures, respectively. In the solvate, amide-N—H⋯O(di­methyl­formamide) hydrogen-bonds define a three-mol­ecule aggregate while in the unsolvated structure, amide⋯amide hydrogen-bonding leads to a supra­molecular chain.



New monoclinic form of {O-Ethyl N-(4-nitro­phen­yl)thio­carbamato-κS}(tri-4-tolyl­phosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis
A linear SP coordination geometry for the gold atom is found in the title structure, which also features a short intra­molecular Au⋯O inter­action, in contrast to a Au⋯π inter­action found in the first polymorph.



Crystal structures of 1-(benzene­sulfon­yl)-2-methyl-3-[(4-nitro­phen­yl)carbon­yl]-2,3-di­hydro-1H-indole and 1-(benzene­sulfon­yl)-2-methyl-3-[(thio­phen-2-yl)carbon­yl]-2,3-di­hydro-1H-indole
In the title indole derivatives, the sulfonyl-bound phenyl rings are almost orthogonal to the indole ring system, subtending dihedral angles of 88.33 (10) and 87.58 (16)°, respectively. The mol­ecules of both (I) and (II) feature intra­molecular C—H⋯O hydrogen bonds that generate S(6) ring motifs with the sulfone O atom. In the crystals, mol­ecules of (I) are linked by C—H—O hydrogen bonds, forming R_{4}^{4}(18) ring motifs while mol­ecules of (II) are linked by C—H—O and C—H—S hydrogen bonds, forming R_{2}^{2}(12) ring motifs.



Crystal structure of flucetosulfuron
The title compound, C18H22FN5O8S, is used as a herbicide. The crystal structure is stabilized by N/C—H⋯O hydrogen bond, C—H⋯F and C—H⋯π inter­actions with weak π–π inter­actions contacts to form a three-dimensional architecture.



Crystal structures of 2-(benzene­carbo­thio­yloxy)ethyl benzene­carbo­thio­ate and 2-(benzene­carbo­thio­yloxy)ethyl benzoate
The title compounds are monomeric models for a polythio­noester and a poly(ester-co-thio­noester). The mol­ecules adopt all-trans structures with inter­molecular C⋯S close contacts and C—H⋯π inter­actions. Both crystals have almost the same mol­ecular packing in space group P21/c.



Bis[N-2-hy­droxy­ethyl,N-methyl­dithio­carbamato-κ2S,S)'-4-{[(pyridin-4-yl­methyl­idene)hydrazinyl­idene}meth­yl]pyridine-κN1)zinc(II): crystal structure and Hirshfeld surface analysis
The mononuclear title compound features a Zn2+ ion coordinated by two symmetrically binding di­thio­carbamate ligands and one end of a 4-pyridine­aldazine mol­ecule with the resulting NS4 donor set tending towards a square-pyramidal geometry.



Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-aza­niumyl-2,2,6,6-tétraméthylpipéridin-1-ium
A new organic perchlorate (C9H22N2)[ClO4]2 was synthesized by slow evaporation at room temperature and its crystal structure was determined. This compound was characterized by TGA–DSC and Hirshfeld surface analysis.



Synthesis and crystal structures of two new tin bis­(carboranylamidinate) complexes
Tin forms mononuclear chelate complexes with κC,κN-coordinated carboranylamidinate ligands, in which the Sn atom exhibits a trigonal–bipyramidal (SnIV) or pseudo-trigonal–bipyramidal (SnII) coordination.



A copper(II) paddle-wheel structure of tranexamic acid: di­chloro-tetra­kis­[μ-4-(ammonio­meth­yl)cyclo­hexane-1-carboxyl­ato-O,O′]dicopper(II) dichloride hexa­hydrate
Tranexamic acid is an anti­fibrinolytic amino acid that exists as a zwitterion [trans-4-(ammonio­meth­yl)cyclo­hexane-1-carboxyl­ate] in the solid state. Its reaction with copper chloride lead to the formation of a copper(II) paddle-wheel structure.



Structural parameters of dimethyl sulfoxide, DMSO, at 100 K, based on a redetermination by use of high-quality single-crystal X-ray data
Accurate structural parameters (bond lengths and angles) of dimethyl sulfoxide, DMSO, have been obtained from the redetermination of its crystal structure by single-crystal X-ray diffraction at 100 K using CCD data in order to get a reference point for the deformation of the chemically bonded mol­ecule. In addition, the new data show that mol­ecule approximates Cs symmetry in the solid state where all atoms occupy general positions.



A two-dimensional Zn coordination polymer with a three-dimensional supra­molecular architecture
The characteristic structural feature of a new two-dimensional Zn coordination polymer is an infinite polymeric layer parallel to the crystallographic (132) plane.



Crystal structure of (1S,2S,5R)-5-acetyl­amino-4-oxo-2,3-diphenyl-1,3-thia­zinan-1-ium-1-olate
The crystal structure of the enanti­opure sulfoxide of a 2,3,5,6-tetra­hydro-1,3-thia­zin-4-one exhibits a twisted half-chair pucker for the thia­zine ring. Inter­molecular N—H ⋯O hydrogen-bonding inter­actions form a two-dimensional layered structure lying parallel to (001).



Lithium tetra­chlorido­aluminate, LiAlCl4: a new polymorph (oP12, Pmn21) with Li+ in tetra­hedral inter­stices
The new polymorph of lithium tetra­chlorido­aluminate, LiAlCl4, adopts a defect wurtz-stannite-type of structure and is metastable.



Crystal structure of N-[2-(cyclo­hexyl­sulfan­yl)eth­yl]quinolinic acid imide
In the crystal of the title compound, C—H⋯O hydrogen bonds and C—O⋯π inter­actions form a two-dimensional network lying parallel to the ab plane.



Crystal structures of the dioxane hemisolvates of N-(7-bromo­methyl-1,8-naphthyridin-2-yl)acetamide and bis­[N-(7-di­bromo­methyl-1,8-naphthyridin-2-yl)acetamide]
The syntheses and crystal structures of the title dioxane hemisolvates of N-(7-bromo­methyl-1,8-naphthyridin-2-yl)acetamide and bis­[N-(7-di­bromo­methyl-1,8-naphthyridin-2-yl)acetamide] are described.



Crystal structure of N-(4-hy­droxy­benz­yl)acetone thio­semicarbazone
The inclusion of a methyl­ene group at the thio­amidic N atom of the acetone thio­semicarbazone derivative endows the mol­ecule with greater flexibility and different pathways of association compared to those usually observed in the crystalline structures of these compounds.



Crystal structure of 4-amino-3-(thio­phen-3-ylmeth­yl)-1H-1,2,4-triazole-5(4H)-thione
The synthesis and crystal structure of a new thio­phene monomer containing an additional 1,2,4-triazole ring are reported. The compound has a V-shaped conformation with the thio­phene ring disordered over two positions by a rotation of approximately 180°.



Crystal structure of 2,6-di­benzyl­pyrrolo­[3,4-f]iso­indole-1,3,5,7(2H,6H)-tetra­thione
The title compound comprises a central pyromellitic di­imide substituted with S atoms and terminal benzyl groups. In the crystal, adjacent mol­ecules are linked by C—H⋯π inter­actions and short S⋯S contacts, forming a two-dimensional network parellel to the (110) plane.



The 7-aza­norbornane nucleus of epibatidine: 7-aza­bicyclo­[2.2.1]heptan-7-ium chloride
7-Aza­bicyclo­[2.2.1]heptane (7-aza­norbornane) is a bridged heterocyclic nucleus found in epibatidine. The structural characterization of the 7-aza­bicyclo­[2.2.1]heptane parent ring as its hydro­chloride salt, namely 7-aza­bicyclo­[2.2.1]heptan-7-ium chloride, has been carried out.



Manganese(II) chloride complexes with pyridine N-oxide (PNO) derivatives and their solid-state structures
The synthesis and structures of three manganese(II) pyridine N-oxide complexes are presented.



Bis(3,5-dimeth­oxy-2-{[2-(pyridin-2-yl)ethyl­imino-κN]­meth­yl}phenolato-κO)bis­(dimethyl sulfoxide)­manganese(III) perchlorate methanol 0.774-solvate
The title complex contains a central octa­hedrally coordinated MnIII cation with to two bidentate Schiff base ligands occupying the equatorial positions and two dimethyl sulfoxide ligands occupying the axial positions. In addition, disordered perchlorate anions and solvent mol­ecules with a site-occupancy factor corresponding to that of the major fraction of the anions.



Crystal structure of 7β-hy­droxy­royleanone isolated from Taxodium ascendens (B.)
The title compound, 7β-hy­droxy­royleanone, an abietane-type diterpene, was isolated from Taxodium ascendens (B.).



Crystal structure and DFT study of bis­{(S)-2-[(2-hy­droxy­benzyl)­amino]-4-methyl­penta­noato-κ2N,O}(1,10-phenanthroline-κ2N,N′)nickel(II)
The title compound was prepared from an equimolar mixuture of nickel nitrate, phenanthroline and two equivalents of (S)-2-(2-hy­droxy­benzyl­amino)-4-methyl­penta­noic acid. The NiII complex shows a distorted octa­hedral geometry which is stabilized by intra­molecular hydrogen bonds and a weak π–π inter­action.



Crystal structure of dipotassium N-carbodi­thio­ato-l-prolinate trihydrate
K2(SSC-NC4H7—COO)·3H2O or C6H13K2NO5S2 exbibits a highly complex supra­molecular structure in the crystal, which is governed by bridging O– and S-atom coordination, as well as hydrogen bonding.



Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae)
The isolation and crystal structures of the title compounds from Hibiscus sabdariffa (Malvaceae) are described. Hibiscus acid dimethyl sulfoxide monosolvate forms a two-dimensional hydrogen-bonded motif, while hibiscus acid dimethyl ester (Z′ = 2) forms a one-dimensional hydrogen-bonded motif.



Crystal structures of two bi­cyclo­[5.1.0]octa­nes: potassium trans-bi­cyclo­[5.1.0]octane-4-carboxyl­ate monohydrate and cis-bi­cyclo­[5.1.0]octan-4-yl 4-bromo­benzene­sulfonate
The geometry of potassium trans-bi­cyclo­[5.1.0]octane-4-carboxyl­ate monohydrate, a highly strained trans-fused bicyclic ring system, is compared with that of a less-strained cis-bi­cyclo­[5.1.0]octane derivative.



Crystal structures of pure 3-(4-bromo-2-chloro­phen­yl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one and contaminated with 3-(4-bromo­phen­yl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one
The side product of the cyclo­condensation reaction between ethyl benzimidazole-2-carboxyl­ate and the nitrile imine of the corresponding hydrazonyl chloride, C20H11BrClN5O, crystallized in two crystal forms. Form (1) is a co-crystal of the target compound (without any chlorine substituent) and a side product containing a Cl atom in position 2 of the bromo­phenyl group, C20H12BrN5O·0.143C20H11BrClN5O. (2) contains the pure side product. The slightly different conformation of the ring systems leads to a different packing of (1) and (2), but both crystal structures are dominated by π–π inter­actions.



Crystal structure and Hirshfeld surface analysis of aqua­bis­(nicotinamide-κN1)bis­(2,4,6-tri­methyl­benzoato-κO)zinc
In the title Zn complex, the ZnII cation is five-coordinated in a distorted trigonal–bipyramidal geometry. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (58.4%), H⋯C/C⋯H (20.3%) and H⋯O/O⋯H (18.3%) inter­actions.



Crystal structure and DFT study of (E)-2,6-di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-yl­idene)meth­yl}phenol
The title Schiff base was synthesized via the condensation reaction of 3,5-di-tert-butyl-4-hy­droxy­benzaldehyde and 2-hydrazinyl­pyridine and crystallized with a single mol­ecule in the asymmetric unit. The conformation about the C=N bond is E. In the crystal, N—H⋯N hydrogen bonds connect pairs of mol­ecules into dimers. In addition, weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions are observed.



Ethyl 2-amino-1-(4-fluoro­phen­yl)-5-oxo-4,5-di­hydro-1H-pyrrole-3-carboxyl­ate: crystal structure and Hirshfeld surface analysis
In the title mol­ecule, the central pyrrole ring makes dihedral angles of 9.2 (3) and 67.6 (2)°, respectively, with the eth­oxy carbonyl moiety and the fluoro­phenyl ring. Supra­molecular aggregation is due to off-centric π–π stacking inter­actions involving screw-related pairs of mol­ecules, which are further connected by N—H⋯O and C—H⋯O inter­actions, forming a sinusoidal pattern



(μ2-Adipato-κ4O,O′:O′′,O′′′)bis­[aqua­(benzene-1,2-di­amine-κ2N,N′)­chlorido­cadmium]: crystal structure and Hirshfeld surface analysis
In the centrosymmetric binuclear title compound, the CdII atoms are linked by a μ2-adipate dianion; the distorted octa­hedral geometry of the metal ion is defined by a ClN2O3 donor set.



Bis(μ-N,N-di­allyl­dithio­carbamato)bis[(N,N-di­allyl­dithio­carbamato)cadmium]
The characteristic feature of this cadmium(II) complex is the formation of a dimeric bridged structure where the two CdII cations are bridged by S atoms from the N,N-di­allyl­ldi­thio­carbamate ligands.



Crystal structure of rac-4-[2-(tert-butyl­aza­nium­yl)-1-hy­droxy­eth­yl]-2-(hy­droxy­meth­yl)phenol benzoate
The title salt forms a racemate due to disorder of the hy­droxy group [occupancy ratio 0.738 (3):0.262 (3)] at the stereogenic C atom.



Crystal structure of (E)-furan-2-carbaldehyde O-benzoyloxime
In the title oxime ester, the benzoate and furan rings are almost coplanar, making a dihedral angle of 11.68 (9)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains along the a-axis direction.



A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
The redetermined structure of the title mol­ecular salt possesses one of the longest symmetric N⋯H⋯N hydrogen bonds known [N⋯N = 2.678 (3) Å].



Crystal structure and DFT study of (E)-N-[2-(1H-indol-3-yl)eth­yl]-1-(anthracen-9-yl)methanimine
In the title compound, the indole ring system makes a dihedral angle of 63.56 (8)° with the plane of the anthracene ring. The conformation about the C=N bond of the –CH2–CH2–N=CH– bridge linking the two units is E. In the crystal, the indole H atom is involved in an inter­molecular N—H⋯π inter­action with the benzene ring of the indole group, leading to the formation of chains along [010].



Crystal structures of 2-amino-4,4,7,7-tetra­methyl-4,5,6,7-tetra­hydro-1,3-benzo­thia­zol-3-ium benzoate and 2-amino-4,4,7,7-tetra­methyl-4,5,6,7-tetra­hydro-1,3-benzo­thia­zol-3-ium picrate
In each of the title compounds, the cation is conformationally chiral, exhibiting conformational disorder, while two of the nitro groups in the picrate anion also exhibit disorder. In the benzoate salt, the ions are linked into a chain of rings by N—H⋯O hydrogen bonds, whole in the picrate salt, the hydrogen-bonded four-ion aggregate contains four different types of ring.



Crystal structure of penoxsulam
The herbicide penoxsulam crystallizes with two independent mol­ecules in the asymmetric unit. The crystal structure is stabilized by C—F⋯π and π–π inter­actions that combine with C—H⋯F and C—H O hydrogen bonds and weak inter­molecular F⋯F short contacts to form a three-dimensional network.



Crystal structure of tetra­aqua­bis­(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II)
The complex title mol­ecule lies across an inversion centre and exhibits a slightly distorted octa­hedral coordination environment for the CoII atom.



KInAs2O7, a new diarsenate with the TlInAs2O7 structure type
The structure of potassium indium diarsenate(V) is isotypic to TlInAs2O7 structure type (P\overline{1}, Z = 4) and closely related to the KAlP2O7 (P21/c) and RbAlAs2O7 (P\overline{1}) structure types. The framework topology of KInAs2O7 is built of two symmetrically non-equivalent As2O7 groups which share corners with InO6 octa­hedra. The K atoms are located in channels extending along [010].



Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
Tetra­meric associations of two cations and two anions occur, being linked by N—H⋯O hydrogen bonds.



Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(E)-styr­yl]-1,3,4-oxa­thia­zol-2-one
The title compound provides the first crystal structure of an α-alkenyl oxa­thia­zolone ring.



Crystal structure of the tetra­hydro­furan disolvate of a 94:6 solid solution of [N2,N6-bis­(di-tert-butyl­phosphan­yl)pyridine-2,6-di­amine]­dibromido­manganese(II) and its monophosphine oxide analogue
The MnBr2 complex of N2,N6-bis­(di-tert-butyl­phosphan­yl)pyridine-2,6-di­amine (1·MnBr2) co-crystallizes with 5.69% of the monophosphine oxide analogue (1O·MnBr2) and two tetra­hydro­furan (THF) mol­ecules, namely {N2,N6-bis­(di-tert-butyl­phosphan­yl)pyridine-2,6-di­amine}­dibromido­manganese(II)–[bis­(di-tert-butyl­phosphan­yl)({6-[(di-tert-butyl­phosphan­yl)amino]­pyridin-2-yl}amino)­phosphine oxide]di­bromido­manganese(II)–tetra­hydro­furan (0.94/0.06/2), [MnBr2(C21H41N3P2)]0.94[MnBr2(C21H41N3OP2)]0.06·2C4H8O. The 1·MnBr2 and 1O·MnBr2 complexes are connected by weak N—H⋯Br hydrogen bonding into chains extending along [001] with the THF mol­ecules located between the layers formed by these chains.



Crystal structure and Hirshfeld surface analysis of pulcherrin J
The natural diterpene known as pulcherrin J was isolated from stem barks of medicinally important Caesalpinia pulcherrima (L.). The mol­ecule is composed of a central core of three trans-fused cyclo­hexane rings and a near planar five-membered furan ring, along with an axially oriented cinnamate moiety and a­hydroxyl substituent attached to the C-8 and C-9 positions of the steroid ring system, respectively. Hirshfeld surface analysis indicates that the most significant contacts in packing are H⋯H (67.5%), followed by C⋯H (19.6%) and H⋯O (12.9%).



Crystal structure of ethyl­ene­dioxy­tetra­thia­fulvalene-4,5-bis­(thiol­benzoic acid) 0.25-hydrate
In the crystal of the title compound, the benzoic acid mol­ecules are linked by O—H⋯O hydrogen bonds, forming inversion dimers with R_{2}^{2}(8) motifs. The dimers are linked further via weak C—H⋯O hydrogen bonds, and S⋯S and S⋯C contact inter­actions into a layer structure.



Synthesis and crystal structure of cerium(IV) bis­(phosphite)
The title substance of cerium(IV) bis­(phosphite), Ce(HPO3)2, crystallizes in a trigonal cell and is composed of CeO6 octa­hedra and phosphite tetra­hedra.



Crystal structure of 1-[2-(4-nitro­phen­yl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol
The mol­ecular and crystal structure of the title imidazole derivative is reported. The structure features an extensive O—H⋯N, C—H⋯O/N and C—H⋯π(ring) hydrogen-bonding network.



Crystal structure of chlorido­(dimethyl sulfoxide-κS)bis­[4-(pyridin-2-yl)benzaldehyde-κ3C2,N]iridium(III) aceto­nitrile monosolvate
The title iridium(III) complex crystallizes as a aceto­nitrile monosolvate and has the IrIII atom in a distorted octa­hedral coordination within a C2N2ClS coordination set.



Crystal structure of a 1,1,2,2-tetra­chloro­ethane-solvated hydrazinecarbo­thio­amide compound
The crystal structure of the title compound, which contains azomethine groups, is reported; its keto and enol tautomeric forms are investigated.



Crystal structure of ethyl (E)-2-cyano-3-(thio­phen-2-yl)acrylate: two conformers forming a discrete disorder
The mol­ecular structure of the title compound is characterized by a planarity that allows the formation of (010) sheets. However, the existence of two different conformations of the ethyl fragment introduces the occurrence of discrete disorder due to a mol­ecular overlay.






Crystal structures of the 2:2 complex of 1,1′-(1,2-phenyl­ene)bis­(3-m-tolyl­urea) and tetra­butyl­ammonium chloride or bromide
The title compounds both comprise a tetra­butyl­ammonium cation, a halide anion and an ortho-phenyl­ene bis-urea mol­ecule. Each halide ion shows four N—H⋯X (X = Cl or Br) inter­actions with two urea receptor sites of different bis-urea moieties. A crystallographic inversion centre leads to the formation of a 2:2 arrangement of two halide anions and two bis-urea mol­ecules.