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Journal logoIUCrDATA
ISSN: 2414-3146

August 2018 issue

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Cover illustration: Pyrazole-based ligands are ubiquitous in the literature for their ability to build mono-metal complexes and mol­ecules containing multiple metal centers. In particular, 3,5-di­phenyl­pyrazole and its derivatives have been used to form numerous copper complexes with the metal in either the 1+ or 2+ oxidation states. The compound di-[mu]-chlorido-bis­[chlorido­(di­methyl­formamide-[kappa]N)(3,5-diphenyl-1H-pyrazole-[kappa]N2)­copper(II)], Cu2([mu]-Cl)2Cl2(3,5-diphenyl-1H-pyrazole)2(DMF)2, where DMF is N,N-di­methyl­formamide, consists of two five-coordinate CuII ions with a distorted square-pyramidal geometry connected via two [mu]-Cl anions. The coordination environment of each CuII ion is completed by a terminal chloride anion, a nitro­gen-coordinated 3,5-diphenyl-1H-pyrazole mol­ecule, and a DMF mol­ecule. Inter­molecular hydrogen bonding between the mol­ecules generates a two-dimensional sheet. See: Naugle, Keller, Zeller & Zaleski [IUCrData (2017). 3, x181186].

inorganic compounds


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The crystal structure of NH4VO3 has been redetermined using single-crystal X-ray data, affording a more accurate description for the tetra­hedral ammonium cation.

metal-organic compounds


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The structure of the title salt comprises Na+ cations and C10H7ClN3O2 anions arranged in layers parallel to the bc plane. The cation is coordinated by two N atoms and three O atoms of the anions.


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The coordination environment of the NiII cation is almost square-planar and is defined by a tridentate NNImS {2-{[2-(di­methyl­amino)­eth­yl]imino­meth­yl}benzene­thiol­ato} ligand and a monodentate S-bound 4-meth­oxy­thio­pheno­late ligand.

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The title compound Cu2(μ-Cl)2Cl2(3,5-diphenyl-1H-pyrazole)2(DMF)2, where DMF is N,N-di­methyl­formamide, consists of two five-coordinate CuII ions with a distorted square-pyramidal geometry connected via two μ-Cl anions. The coordination environment of each CuII ion is completed by a terminal chloride anion, a nitro­gen-coordinated 3,5-diphenyl-1H-pyrazole mol­ecule, and a DMF mol­ecule. Inter­molecular hydrogen bonding between the mol­ecules generates a two-dimensional sheet.

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The mol­ecular structure of (C9H14N4)[CoBr4] consists of an imidazolium-based dication and a tetra­bromido­cobaltate(II) complex anion, which are connected via short C—H⋯Br inter­actions in the crystal.

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In the title compound [Co(NH2PhSO3)2(H2O)2]n, a three-dimensional supra­molecular framework is built from sulfanilate–cobalt layers inter­connected via N—H⋯O and O—H⋯O hydrogen bonds. The environment around the cobalt atom is a distorted octa­hedron.

organic compounds


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The title compound C19H14O2 crystallizes in an ortho­rhom­bic unit cell with a single mol­ecule in the asymmetric unit. In the crystal, π–π stacking inter­actions, with a centroid–centroid distance of 3.7695 (8) Å, and weak C—H⋯π inter­actions link mol­ecules along the b-axis direction.

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The only identifiable directional inter­action in the crystal of the title compound is π–π stacking involving the thio­phene groups.

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The structure of bis­(tri­phenyl­phosphine)iminium tetra­fluoro­borate chloro­form solvate, [PPN]BF4·CHCl3 was determined at 100 K. In the title solvate, C—H⋯F and C—H⋯Cl hydrogen bonds stack [PPN]+ cations along the b-axis direction.


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In the crystal of the title flavone derivative, mol­ecules form centrosymmetric dimers via O—H⋯O=C hydrogen bonds.

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The synthesis, mol­ecular and crystal structure of a biologically important pharmacophore containing 2-amino­pyrimidine is reported.

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In the organic mol­ecule, the twist angles between the pyrol­yl/methyl­triazol­yl/methyl­tolyl groups are 11.4 (2) and 7.9 (1)°, respectively.

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In the title pyrazine-2-carbohydrazide, the dihedral angle between the planes of the pyrazine rings is 4.7 (3)°.

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In the crystal of the title compound, the mol­ecules are connected into [001] chains by N—H⋯O hydrogen bonds.

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The asymmetric unit of the title compound consists of a 2,2′-bipyridinium cation, half an oxalate dianion, one oxalic acid and one water mol­ecule.

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This compound was obtained by heterologous expression of the brasilicardin gene cluster in the bacterium Amycolatopsis japonicum. In the crystal, the components are linked by numerous hydrogen bonds, generating a three-dimensional network.

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The push-pull enamine is non-planar in the solid state and crystallizes in the Z-configuration.

addenda and errata


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