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Journal logoIUCrDATA
ISSN: 2414-3146

January 2020 issue

Highlighted illustration

Cover illustration: Di­chlorido­bis­[2-(pyridin-2-yl-[kappa]N)-1H-benzimidazole-[kappa]N3]nickel(II) monohydrate was characterized as part of research into transition-metal-catalyzed transfer hydrogenation (TH) catalysts featuring first-row transition metals. Complexes of precious metals (Rh, Ir, and Ru) have been the preferred catalysts for TH owing to their high activity and commercial availability but growing concern surrounding the economic and environmental impact of using precious metals in chemistry has prompted a renewed interest in Earth-abundant metal catalysis. See: MacNeil, Ogweno, Ojwach & Hayes [IUCrData (2020). 5, x20040].

inorganic compounds


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The crystal structure of CsBrF4 was determined from single-crystal X-ray diffraction data collected at 100 K and is compared with previous models based on powder X-ray diffraction data.

metal-organic compounds


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The BiIII atom is coordinated to three S and two N atoms of three different ligands and exhibits a square-pyramidal coordination environment.

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The title compound comprises a cobalt(II) atom, which is six coordinate by N donor atoms, four from iso­thio­cyanato ligands and two from 1-dodecyl-4-aza-1-azoniabi­cyclo­[2.2.2]octane cations. The coordination sphere is elongated octa­hedral.

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The crystal structure of the nickel(II) dichloride complex of the ligand 2-(pyridin-2-yl)-1H-benzimidazole is described.

organic compounds


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In the title compound, the 5-chloro­phenol ring and the imidazole ring are nearly coplanar, with a dihedral angle of 15.76 (9)°. The ethyl­phenyl ring and the two phenyl rings subtend at angles of 71.09 (7), 43.95 (5) and 36.53 (9)°, respectively, with the imidazole plane.

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In the title hydrated Schiff base, the dihedral angle between the aromatic rings is 5.06 (11)° and an intra­molecular O—H⋯N hydrogen bond closes an S(6) ring. In the crystal, Ow—H⋯O and Ow—H⋯N (w = water) hydrogen bonds link the components into centrosymmetric tetra­mers (two Schiff bases and two water mol­ecules). Longer N—H⋯O hydrogen bonds link the tetra­mers into [010] chains.

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The crystal structure of a biologically important pharmacophore containing 1,4-di­hydro­pyridine is reported.

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The crystal structure of a biologically important pharmacophore containing chalcone is reported.

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The title compound, C25H22N2O2Se, crystallizes in the space group P21/c with one mol­ecule in the asymmetric unit. The compound was synthesized by addition of phenyl­selenyl bromide to a cyanamide.

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In the structure of the title compound, which consists of a unique benzene-1,2-diaminium dication charge-balanced by a pair of crystallographically independent 4-methyl­benzene-1-sulfonate anions, the cations and anions are inter­linked by several N—H⋯O hydrogen bonds.

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In the crystal, C—H⋯O and C—H⋯N hydrogen bonds connect the mol­ecules into [001] chains.

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In the crystal of the title flavone derivative, O⋯I halogen bonding and T–shaped π–stacking combine to generate a herringbone packing motif.
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