issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

February 2019 issue

Highlighted illustration

Cover illustration: This article describes the syntheses, crystal structures and theoretical calculations of six group IIB coordination compounds containing a 2-{[(2-meth­oxy­phen­yl)imino]­meth­yl}phenol ligand to provide further insight into the role of [pi]-stacking and hydrogen bonding in metallo­supra­molecular assembly. See Hajiashrafi, Roghayeh, Flanagan, Farnoush, Bauzá, Frontera & Senge [Acta Cryst. (2018), C74, 178-188].

research papers


link to html
The metoprolol free base has been characterized in the solid state by X-ray diffaction (both single-crystal and variable-temperature powder diffraction) and differential scanning calorimetry. These studies are supplemented by mol­ecular modelling and Hirshfeld surface analysis. Structural relationships with the strictly related betaxolol are discussed.

link to html
Two novel Schiff bases derived from indole and biphenyl have been designed, synthesized and fully characterized. As part of our systematic work exploring these kinds of Schiff bases, the present results provide preliminary structure–activity relationships concerning the methyl-group replacements.

link to html
Novel cocrystals of promethazine hydro­chloride with succinic, fumaric and adipic acids were prepared by solvent drop grinding and slow evaporation from aceto­nitrile solution, along with two oxalic acid cocrystals which were prepared in tetra­hydro­furan and nitro­methane. The crystal structures obtained by crystallization from tetra­hydro­furan and aceto­nitrile include the Cl ion in the lattice structures, while the Cl ion is missing from the crystal structure obtained by crystallization from nitro­methane.

link to html
Two new coordination polymers have been synthesized from the reaction of cadmium(II) chloride and 3-amino­pyrazine-2-carb­oxy­lic acid and both show chloride-bridged zigzag chains with octa­hedrally coordinated metal ions. The chains are further inter­connected via noncovalent inter­actions into three-dimensional supra­molecular networks.

link to html
The new organoarsenate salt o-anisidinium di­hydro­arsenate possesses a layered supra­molecular architecture in the crystal. Hydrogen bonds and H⋯H contacts play dominant roles in the crystal structure. An analysis of the electronic structure and mol­ecular modelling using charge distribution confirms the good electrophilic reactivity.

link to html
The only known isolable TaL6 complex of Ta0, i.e. Ta(CNDipp)6 (Dipp is 2,6-diiso­propyl­phen­yl), crystallizes as small amounts of the ionic salt [Ta(CNDipp)7][Ta(CNDipp)6] upon reduction by caesium graphite in tetrahydrofuran of the TaI precursor TaI(CNDipp)6, which was also structurally characterized.

link to html
In a ZnII-based coordination polymer synthesized from a mixture of biphenyl-3,3′,5,5′-tetra­carb­oxy­lic acid, 4,4′-bi­pyridine and Zn(NO3)2·6H2O under solvothermal conditions, the ZnII ions adopt square-pyramidal geometries and are bridged by two synsyn carboxyl­ate groups to form [Zn2(COO)2] units. These units are crosslinked by tetra­carboxyl­ate ligands to produce a two-dimensional grid-like layer that exhibits a stair-like structure along the a axis. The luminescence sensing results indicate a highly selective and sensitive sensing for Fe3+ ions.

link to html
Three novel MOFs with dia, pcu and sql topologies were synthesized from 3-nitro-4-(pyridin-4-yl)benzoic acid (HL) and structurally characterized. The photoluminescence of two of the MOFs are enhanced and red-shifted with respect to free HL. The gas adsorption investigation of one of the MOFs indicates good separation selectivity of CO2/N2 at 273 K.

link to html
The structures of 2,3,4,6-tetra-O-benzoyl-β-D-galacto­pyranosyl-(1→4)-1,2,6-tri-O-benzoyl-β-D-gluco­pyran­ose (ethyl acetate solvate) and 1,2,4,6-tetra-O-benzoyl-β-D-gluco­pyran­ose (acetone solvate) were determined. Conformational analyses on these compared with other known related saccharides are presented.

link to html
Two new tricyclic tetra­hydro-1-benzazepines containing [a]-fused heterocyclic units have been prepared from simple precursors and characterized spectroscopically. The crystal structures of one inter­mediate and two products have been determined; in all three, multiple hydrogen bonds generate complex sheet structures.

link to html
This article describes the syntheses, crystal structures and theoretical calculations of six group IIB coordination compounds containing a 2-{[(2-meth­oxy­phen­yl)imino]­meth­yl}phenol ligand to provide further insight into the role of π-stacking and hydrogen bonding in metallo­supra­molecular assembly.

link to html
Amino­benzyl­naphthol derivatives are suitable systems to study the fundamental role of C—H⋯π inter­actions in controlling the crystal packing of small mol­ecules.

link to html
A zinc(II) compound, prepared by the reaction of Zn(NO3)2·6H2O with 5-nitro­benzene-1,3-di­carb­oxy­lic acid (NO2-H2BDC) and 1,3-bis­(2-methyl-1H-imidazol-1-yl)benzene (1,3-BMIB) in H2O, is a new two-dimensional ZnII coordination polymer with a (4,4) topology parallel to the (10\overline{2}) crystal planes based on left-handed helices, right-handed helical NO2-BDC–Zn chains and [Zn2(1,3-BMIB)2]n clusters. The compound exhibits strong fluorescence emissions in the solid state at room temperature.

link to html
Five new pharmaceutical cocrystals of isoniazid and 4-tert-but­ylbenzoic acid show different hydrogen-bonding patterns based on derivatizing the isoniazid mol­ecule in situ using four different ketones.

link to html
In the course of crystallization experiments to obtain a cocrystal of succinic acid with (S)-(−)-α-methyl­benzyl­amine, a second polymorph of ammonium hydrogen succinate was obtained and is described herein.

link to html
A new langbeinite-type phosphate, K2Tb1.5Ta0.5(PO4)3, is reported. Under near-UV light excitation, Eu3+-doped samples, i.e. K2Tb1.5–xTa0.5(PO4)3:xEu, show a continuously changing emitting colour from green to red along with the x value.

link to html
A series of two-dimensional (2D) coordination polymers has been synthesized from rigid biphenyl-3,3′,5,5′-tetra­carb­oxy­lic acid under solvothermal conditions. The four compounds are isomorphous and feature similar 2D double layers, which are further extended via inter­layer hydrogen-bonding inter­actions into three-dimensional supra­molecular structures.

Special and virtual issues

Acta Crystallographica Section C has recently published special issues on

NMR Crystallography (March 2017)

Scorpionates: a golden anniversary (November 2016)

Full details are available on the special issues page.

The latest virtual issue features Coordination polymers, with an introduction by Len Barbour.

What are the 'most read' articles from the recent special issues?

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds