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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 structures of two mixed-valence copper cyanide complexes with N-methyl­ethylenedi­amine
Two mixed-valence compounds have been isolated from copper-cyanide-meen systems, Cu4(CN)5meen2 and Cu2(CN)3meen2·H2O, where meen is N-methyl­ethylenedi­amine. The former crystallizes as a polymer, in which CuIImeen2 moieties are covalently linked via cyanide bridges to a three-dimensional CuI cyanide-bridged array, while the latter is a binuclear monomer.

Crystal structure of tri-[(4,7,13,16,21,24-hexa­oxa-1,10-di­aza­bicyclo­[8.8.8]-hexa­cosane-κ8N2,O6)rubidium] rubidium nona­stannide
The title compound, [Rb(2.2.2)-crypt]3RbSn9, contains Rb+ cations, partially coordinated by 2.2.2-cryptand mol­ecules, and deltahedral nine-atomic tin cluster anions. The free Rb+ cations and the [Sn9]4– anions form strands extending parallel to [001].

Crystal structure of caesium di­hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison
The crystal structure of caesium di­hydrogen citrate has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques.

Crystal structure of (2,2′-bipyrid­yl)[2,6-bis­(N-butyl­benzimidazol-2′-yl)pyridine]­chloro­iridium(III) tri­fluoro­methane­sulfonate
The title complex, [Ir(C27H29N5)(C10H8N2)Cl]2+·2CF3SO3−, was synthesized via the reaction of 2,6-bis­(N-butyl­benzimidazol-2′-yl)pyridine (bubzimpy) and 2,2′-bi­pyridine (bipy) with sodium hexa­chloro­iridate(III) and precipitated by adding aqueous sodium tri­fluoro­methane­sulfonate solution. The compound was characterized using single-crystal X-ray diffraction, FT–IR, cyclic voltammetry/rotating disc electrode polarography, fluorescence spectrometry, high resolution mass spectrometry, CHN elemental analysis and 1H NMR.

Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hy­droxy­pentan-3-yl)tetra­hydro­furan-2-yl]eth­yl}-7a-methyl-2,3,3a,4,5,6,7,7a-octa­hydro-1H-inden-4-one
The title compound contains an oxolane ring, and six defined stereocentres and may serve as a useful synthon for the synthesis of calcitriol analogues. The configurations of the chiral C atoms of the side chain were unambiguously established in the refinement.

Crystal structures of three 3-chloro-3-methyl-2,6-di­aryl­piperidin-4-ones
The syntheses and crystal structures of 3-chloro-3-methyl-r-2,c-6-di­phenyl­piperidin-4-one and two of its derivatives are described. In each structure, the piperidine ring adopts a chair conformation. In the crystals, mol­ecules are linked into C(6) chains by weak N—H⋯O hydrogen bonds and C—H⋯π inter­actions are also observed.

Crystal structure of (E)-2-{[(4-anilinophen­yl)imino]meth­yl}-4-nitro­phenol
The title compound, C19H15N3O3, features an intra­molecular O—H⋯N hydrogen bond and an E conformation for the Schiff base unit.

Crystal structure of (E)-N1-[(anthracen-9-yl)methyl­idene]-N4-phenyl­benzene-1,4-di­amine
The asymmetric unit of the title Schiff base contains three independent but conformationally similar mol­ecules that are linked in the crystal through inter­molecular N—H⋯N hydrogen bonds and C—H⋯π inter­actions, forming chains lying parallel to the c-axis direction.

Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-aza­tetra­cyclo­[,7.015,20]penta­cosa-2,4,6,15(20),16,18-hexaen-23-one
Macrocyclic 22,24,25-trimethyl-8,11,14-trioxa-25-aza­tetra­cyclo­[,7.015,20]penta­cosa-2,4,6,15 (20),16,18-hexaen-23-one obtained by a Petrenko–Kritchenko condensation of 1,5-bis­(2-formyl­phen­oxy)-3-oxa­pentane, pentan-3-one and methyl­ammonium acetate has been studied by X-ray structural analysis.

Crystal structure of rubidium methyl­diazo­tate
The title compound has been crystallized in liquid ammonia as a reaction product of the reductive ammonolysis of the natural compound streptozocin. Elemental rubidium was used as reduction agent as it is soluble in liquid ammonia, forming a blue solution. Reductive bond cleavage in biogenic materials under kinetically controlled conditions offers a new approach to gain access to sustainably produced raw materials.

Crystal structures of two nickel compounds comprising neutral NiII hydrazone complexes and di­carb­oxy­lic acids
Two NiII compounds forming zigzag chain structures through O—H⋯N hydrogen bonds between di­carb­oxy­lic acids and NiII complexes were synthesized, and their structures were determined. They are co-crystals rather than salts.

Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate
The absolute structure of (R,R,SFc,SFc)-[Fe2(C5H5)2(C38H36BrNP2)]·Br·CH2Cl2 has been determined by X-ray single-crystal diffraction.

Crystal structure of 7,15-bis­(4-tert-butyl­phen­yl)-1,9-di­methyl­hepta­zethrene
The title compound was synthesized as a derivative of hepta­zethrene bearing two methyl and two tert-butyl­phenyl substituents, respectively, at the 1,9- and 7,15-positions. Albeit remotely located, the substituents contort the hepta­zethrene plane. The phenyl substituents stand approximately perpendicular to the core plane and prevent direct inter­molecular contacts of the hepta­zethrene cores.

Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-di­nitro­phen­yl)hydrazinylidene]meth­yl}phenol
The title compound was obtained from the condensation reaction of 3,5-di-tert-butyl-4-hy­droxy­benzaldehyde and 2,4-di­nitro­phenyl­hydrazine. The essential part (including all the non-hydrogen atoms except two methyl carbons) of the mol­ecule lies on a mirror plane, which bis­ects the t-butyl groups.

Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex
The title compound is an LiBr-bridged TiIV alkoxide dimer, supported by a novel monoanionic [NNN] pincer-type ligand. The bis­[2-(1-imino-2,2-di­methyl­prop­yl)-4-methyl­phen­yl]amine ligand is the first reported ligand that bears hydrogen atoms on its ketimine side arms.