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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

January 2020 issue

Highlighted illustration

Cover illustration: The conformational flexibilities of two new amido­phospho­ester structures with an (O)2P(O)(N) skeleton and 118 analogous structures from the Cambridge Structural Database were studied. See Vahdani Alviri, Pourayoubi, Abdul Salam, Necas, van der Lee, Chithran & Damodaran [Acta Cryst. (2020), C76, 104-116].

research papers


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The solid-state conformational and hydrogen-bonding analyses of four linear depsipeptides with an alternating sequence of an α,α-disubstituted α-amino acid and an α-hy­droxy acid are reported. All of the mol­ecules exhibit β-turn conformations.

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In order to explore the applications of metal–organic frameworks (MOFs) constructed by 4,4′,4′′-(1,3,5-triazine-2,4,6-tri­yl)tri­benzoic acid and 1,3-bis­[(imidazol-1-yl)meth­yl]benzene ligands for fluorescence applications, the ZnII ion was selected to synthesize a new MOF. The resulting MOF offers a 3,4-connected three-dimensional self-penetrated framework.

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The crystal structure of a novel nickel(II) com­plex bearing a tripodal N4-donor ligand revealed an unusual partial occupancy of labile cis aqua and chloride ligands, resulting in cocrystallized isomers and crystallographic disorder.

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A Co-MOF with a (4,4)-connected 2-nodal two-dimensional (2D) topology was synthesized using the long tetrapodal ligand 1,1,2,2-tetra­kis­[4-(1H-1,2,4-triazol-1-yl)phen­yl]ethyl­ene (ttpe) and benzene-1,4-di­carb­oxy­lic acid (1,4-H2bdc). The 2D networks capture free neutral 1,4-H2bdc molecules and bdc2− anions, and construct a three-dimensional supra­molecular architecture via hydrogen-bonding inter­actions.

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In a series of amino­alkanol derivatives, the position of methyl substitution influences significantly the conformation of the O—C—C linker due to intra­molecular inter­actions involving the ortho substituent, as well as steric hindrance. The formation of the N-oxide and the occurrence of a zwitterion influences the linker geometry and also the position of the hy­droxy group in the piperidine ring, which changes from equatorial to axial.

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The mol­ecular conformation of a conjugated bi­thio­phene ligand under solvothermal conditions produced two different CuII coordination polymers.

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Eight novel Schiff bases derived from indole/naphthalene and benzil have been designed, synthesized, fully characterized and theoretically investigated. As part of our systematic work exploring this kind of Schiff base, the present results provide preliminary structure–activity relationships concerning the indole ring, methyl-group replacements and mono/di-Schiff bases.

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The structure of BATZM can be described as a V-shaped mol­ecule with reasonable chemical geometry and no disorder. The com­pound crystallizes in the ortho­rhom­bic space group Fdd2 with Z = 8. Extensive hydrogen bonding yields a dense three-dimensional structure.

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Two enanti­omorphic crystal forms of N-(2,6-di­methyl­phen­yl)-4-hy­droxy-2,2-dioxo-1H-2λ6,1-benzo­thia­zine-3-carboxamide have been crystallized from different solvents. A pharmacological study showed that one possesses a high analgesic activity, while the other revealed a strong anti-inflammatory activity. The ability to become a stereogenic centre due to the non-equivalence of its O atoms in hydrogen-bond formation is a property of the ring sulfonyl group.

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Four novel norcantharidine derivatives have been designed, synthesized, fully characterized and theoretically investigated. By com­paring the crystal structures of four pairs of similar mol­ecules, two new cases of conditional isomorphism were found.

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A series of three 1,1,4-triphenyl-substituted 1,3-enynes have been structurally characterized by X-ray diffraction at 100 K. Biological tests for one enyne revealed that it inhibited the growth of Aspergillus niger. Such 1,3-enynes find widespread applications in organic synthesis and biological tests.

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Novel chromium com­plexes with disubstituted phosphate anions exhibit dinuclear cores, terminal and bridging organophosphate coordination modes, and hydrogen bonding in their crystal structures. As precatalysts, the com­plexes are capable of polymerizing ethyl­ene.

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The conformational flexibilities of two new amido­phospho­ester structures with an (O)2P(O)(N) skeleton and 118 analogous structures from the Cambridge Structural Database were studied.

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?

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