issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

July 2015 issue

Highlighted illustration

Cover illustration: Two copper(II) supra­molecular coordination polymers based on the multifunctional 2-amino-4-sulfo­benzoic acid ligand have been synthesized and characterized, and show different dehydration-rehydration behaviours. See Wei, Zhang, Wang, Chen, Wang & Zhang [Acta Cryst. (2015), C71, 570-577].

research papers


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The first complex of PbII with the pyrimidine-2-thiol­ate ligand shows a three-dimensional structure. The pyrimidine-2-thiol­ate anions are coordinated in a bridging fashion through both N atoms and the S atom. The net topology is represented by a Shläfli symbol of 66.

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A new two-dimensional zinc(II) coordination polymer containing Zn4(OH)2 secondary building units has been prepared under solvothermal conditions using benzene-1,2,3-tri­carb­oxy­lic acid and N,N′-bis­[(pyridin-4-yl)methyl­idene]hydrazine and it appears to have potential for application as a luminescent material.

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In five copper(I) and copper(II) complexes with (prop-2-en-1-yl)bis­[(pyridin-2-yl)methyl­idene]amine acting as a scorponiate ligand, control over the coordination geometry by modifying the counter-ion and the oxidation state of the copper center was demonstrated.

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A three-dimensional CdII coordination polymer, with a (3,4,5)-connected topological network, was assembled from 1,1′-biphenyl-2,2′,5,5′-tetra­carboxyl­ate (bpta4−) and 1,4-bis­(1H-imidazol-1-yl)benzene ligands, wherein the fully deprotonated bpta4− ligand exhibits a new coordination mode. The complex might be a candidate for a thermally stable and solvent-resistant blue fluorescent material.

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The complexation of the dianion of pyrazine-2,3-di­carb­oxy­lic acid with CoII and ZnII has been investigated with the use of piperazinediium as the counter-cation. The structure of the starting proton-transfer reagent is also reported.

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The structural investigation of (cryptand-222)potassium chlorido­[meso-tetra­(α,α,α,α-o-pivalamido­phen­yl)porphyrinato]manganese, [K(222)[Mn(TpivPP)Cl], reveals a near-planar conformation of the porphyrin plane, an off-axis tilting of the axial chloride ligand and a noticeable porphyrin core doming.

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A new cadmium thio­cyanate complex displays two types of CdII atoms in distorted octa­hedral coordination environments. Neighbouring CdII atoms are linked by thio­cyanate bridges to form a one-dimensional zigzag chain and a one-dimensional coordination polymer. Hydrogen-bond inter­actions are involved in the formation of the supra­molecular network.

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A series of di-Schiff bases formed between benzil dihydrazone (BDH) and three isomeric chloro­benz­aldehydes were designed and synthesized to be used as model compounds to help to explain the reaction mechanisms for the formation of Schiff bases.

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Based on the bond distances and angles, and the unambiguous location of the H atoms, the crystal structures of 1-(7-chloro-1,4-dihydroquinolin-4-ylidene)thiosemicarbazide and its hydrochloride salt reveal the presence of the unusual imine tautomeric form.

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Two copper(II) supra­molecular coordination polymers based on the multifunctional 2-amino-4-sulfo­benzoic acid ligand have been synthesized and characterized, and show different dehydration–rehydration behaviours.

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The Schiff base N,N′-bis­(trans-2-nitro­cinnamaldehyde)­ethyl­enedi­amine has a centrosymmetric mol­ecular structure with significant twists from planarity. In the copper(I) complex, it acts as a bidentate ligand with a flattened gauche conformation for N—C—C—N and a rather bowed shape overall.

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Three new maleates of hydro­phobic L-amino acids (L-leucine, L-isoleucine and L-norvaline) are noncentrosymmetric and show an NLO effect. The crystals are promising candidates to be used as substrates for the deposition of thin films of organic mol­ecules. Two of them show inter­esting mechanical behaviour.

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In the crystal of di­cyclo­hexyl­ammonium bromo­acetate, the anions and cations assemble through N—H⋯O inter­actions to form zigzag chains with the (⋯H—N—H⋯O—C—O⋯)n motif commonly found in secondary ammonium mono­carboxyl­ate gelator salts. Gelation tests revealed that the salt is capable of gelling DMF and DMSO.

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Gd4(SiO4)2OTe was obtained as an unexpected product while studying the Gd2Te3–Cu2Te system. Excitation and emission spectra were measured using synchrotron radiation and the compound appears to be a promising optical material when doped with rare-earth ions.

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Crystallization of the nucleobase thymine with four phenolic coformers resulted in cocrystal formation. All four structures exhibit thymine–thymine base pairing. The utilization of the donor and acceptor atoms of thymine in the hydrogen bonding is influenced by the coformers.

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A simple reaction pathway to 5′-hy­droxy-1,1′:3′,1′′-terphenyls beginning with simple aldehydes and ketones involves chalcones and di­aryl­cyclo­hexenones as inter­mediates and examples are reported of all three compound types. The chalcone exhibits whole-mol­ecule positional disorder and two di­aryl­cylohexenones both exhibit enanti­omeric disorder.

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Two homochiral coordination polymers with a two-dimensional layer structure have been obtained. Photoluminescence investigations show that both these compounds display a strong emission in the blue region.

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The article deals with the structure determination of some alkali rare-earth sulfides (KScS2, RbScS2 and KLnS2, Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and with the crystal–chemical analysis of different variables such as unit-cell parameters, their ratios, the thicknesses of the S—S layers, sulfur's z-fractional parameters and bond valences.

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(6-{[2-(Pyridin-2-yl)hydrazinyl­idene]meth­yl}pyridin-2-yl)methanol was synthesized by condensation of 6-(hy­droxy­methyl)­pyridine-2-carbaldehyde with 2-hydrazinyl­pyridine. The three-dimensional supra­molecular structure is formed by N—H⋯N and O—H⋯N hydrogen bonds and weak C—H⋯C inter­actions, and these were qu­anti­fied by the Hirshfeld surface method.

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In two new acyl­amide metal–organic frameworks (MOFs), based on mixed N- and O-donor ligands, the ZnII complex is a 4-connected CdSO4 net with no inter­penetration, and the CdII complex is a 4-connected dia net with threefold inter­penetration.

Special and virtual issues

Acta Crystallographica Section C is planning a special issue on

NMR Crystallography

The most recent special issue, published in November 2016, concerned

Scorpionates: a golden anniversary

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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