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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

November 2014 issue

Highlighted illustration

Cover illustration: On heating a crystal of the one-dimensional coordination polymer catena-poly[[diaqua(sulfato)copper(II)]-[mu]2-glycine] to 435 K in an oven, its aspect changed from blue to a very pale blue. Crystal structure analysis indicated that it had undergone a single-crystal to single-crystal (SCSC) solid-state transformation, losing two water mol­ecules and forming a two-dimensional coordination polymer, viz. poly[[mu]2-glycine-[mu]4-sulfato-copper(II)]. See Stoeckli-Evans, Sereda, Neels, Oguey, Ionescu & Jacquier [Acta Cryst. (2014), C70, 1057-1063].

research papers


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The R and S enantio­mers of 2-[(4-phen­oxy­phenyl)­sulfonyl­meth­yl]thiirane are discussed and compared with the previously reported racemate. The compound is a selective gelatinase inhibitor.

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Natural dendocarbin A is a sesquiterpene lactone isolated from Drimys winteri. X-ray crystal structure analysis confirmed the S/R character of the chiral centres at C-5/C-10 and C-9/C-11, respectively. The α-OH group at C-11 was found to be involved in inter­molecular hydrogen bonding, defining chains along the <100> 21 screw axis.

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(2E)-3-(6-Meth­oxy­naphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one forms sheets built from C—H⋯O and C—H⋯π hydrogen bonds, and the product of its cyclo­condensation with guanidine, (4RS)-2-amino-4-(6-meth­oxy­naphthalen-2-yl)-6-(pyridin-3-yl)-3,4-di­hydro­pyrimidine monohydrate, forms sheets built from N—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds.

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The title compound has a five-coordinated CuII centre, giving a two-dimensional layer structure formed by Cu—O and Cu—N coordination bonds. The layers are stacked to generate a three-dimensional supra­molecular architecture via inter­molecular C—H⋯F—C inter­actions.

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The title organic–inorganic hybrid compound crystallizes in the ortho­rhom­bic space group Pnma. The structure is characterized by polymeric inorganic anionic {[Cu5Br7]2−}n chains resulting from the edge-sharing of distorted CuBr4 tetra­hedra. The anions are surrounded by 1-ethyl-3-methyl­imidazolium cations. C—H⋯Br inter­actions connect the organic cations and inorganic anions.

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A cadmium(II) complex, prepared by reaction of Cd(NO3)2·6H2O with terephthalic acid and 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene in H2O, possesses a three-dimensional framework with 3,8-connected three-dimensional binodal {4.52}2{42.510.612.7.83} topology. The compound exhibits a strong fluorescence emission in the solid state at room temperature.

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A metal coordination polymer has been synthesized by the reaction of Mn(ClO4)2·6H2O with 3,6-bis­(pyridin-2-yl)-1,2,4,5-tetra­zine (bptz) and (Bu3N)3[Mo(CN)8] at room temperature. X-ray diffraction analysis reveals that the compound is a new three-dimensional coordination polymer with a PtS-type network. Magnetic investigation shows anti­ferromagnetic coupling between adjacent Mn2+ cations.

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A ZnII coordination polymer has been prepared by reaction of ZnCl2·4H2O with 1,4-phenyl­ene­di­acetic acid and 1,3-bis­[(1H-1,2,4-triazol-1-yl)meth­yl]benzene in H2O. Single-crystal X-ray diffraction analysis reveals that the compound possesses a novel one-dimensional rotaxane-like structure.

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The involvement of two different alkali cations in the nona­germanide ammoniate Cs3.2Na0.8Ge9·5.3NH3 provides insights into the coordination behaviour of ammonia towards Na and Cs cations within one compound and represents the first mixed-cationic solvate structure of nona­germanide tetra­anions.

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Racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate shows a very efficient inter­molecular benzoyl-group migration reaction in its crystals due to the helical assembly of mol­ecules, which places the reactive electrophile (C=O) and nucleophile (–OH) in proximity with a preorganized El⋯Nu geometry favourable for the acyl transfer reaction. However, the presence of 4,4′-bi­pyridine mol­ecules in its cocrystal perturbs the helical assembly of the dibenzoate mol­ecules and thus restricts its solid-state reactivity.

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The achiral tetra­peptide Z-Aib-Aib-Aib-Gly-OtBu has two different conformations which together constitute the asymmetric unit. Both mol­ecules form incipient 310-helices. They differ in the relative orientation of the N-terminal protecting group and at the C-terminus. There are two 4→1 intra­molecular hydrogen bonds.

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The structure of the anti­oxidant methyl 3-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)propionate indicates significant strain between the ortho tert-butyl substituents and the phenolic OH group. In spite of the steric crowding of the OH group, it participates in inter­molecular hydrogen bonding with the ester carbonyl O atom.

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In a new cadmium dicyanamide complex, poly[tetra­methyl­phospho­nium [μ-chlorido-di-μ-dicyanamido-cadmium(II)]], each CdII atom is octa­hedrally coordinated by four terminal N atoms from four anionic dicyanamide ligands and by two chloride ligands. The dicyanamide ligands play two different roles in the building up of the structure. The anionic framework exhibits a solvent-accessible void of 673.8 Å3, which is 47.44% of the total unit-cell volume. The cavities are occupied by pairs of tetra­methyl­phospho­nium cations.

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On heating a crystal of the one-dimensional coordination polymer catena-poly[[diaqua(sulfato)copper(II)]-μ2-glycine] to 435 K in an oven, its aspect changed from blue to a very pale blue. Crystal structure analysis indicated that it had undergone a single-crystal to single-crystal (SCSC) solid-state transformation, losing two water mol­ecules and forming a two-dimensional coordination polymer, viz. poly[μ2-glycine-μ4-sulfato-copper(II)].

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Mol­ecules of 2-ethyl-1-[5-(4-methyl­phen­yl)pyrazol-3-yl]-3-(thio­phene-2-carbon­yl)iso­thio­urea, formed by reaction of S,S-diethyl 2-thenoylimidodi­thio­carbonate with 5-amino-3-(4-methyl­phen­yl)-1H-pyrazole, form hydrogen-bonded ribbons in which centrosymmetric R_{2}^{2}(4) and R_{2}^{2}(6) rings alternate.

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Linear and two-dimensional coordination polymers incorporating di­phenyl­phosphinate ligands with cadmium(II) both exhibit a single type of phosphinate bridging mode. This study shows that additional neutral organic mol­ecules, such as 4,4′-bi­pyridine, can be used to synthesize higher-dimensional structures beyond that of chains. Such findings prompt future studies aimed at isolating porous materials with potentially useful properties in materials applications.

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In the crystal structure of the natural compound hobartine, a tetra­cyclic alkaloid isolated from Aristotelia chilensis, the supra­molecular structure in strongly related to the twofold screw axis, around which isolated chains build up, inter­nally linked by an N—H⋯N hydrogen bond which is the only significant inter­molecular inter­action present in the structure.

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A CdII coordination polymer has been prepared by reaction of Cd(NO3)2·6H2O with 2-(4-carboxybenzoyl)benzoic acid in H2O at 493 K. Single-crystal X-ray diffraction analysis reveals that the compound possesses a novel two-dimensional framework with a 4,4-connected binodal net topology of point symbol {43.62.8}. Moreover, the compound exhibits a strong fluorescent emission and typical ferroelectric behaviour in the solid state at room temperature.

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A new CuII–azide complex has been synthesized by the reaction of piperazine, Cu(OAc)2·2H2O (OAc is acetate) and NaN3. In the structure, μ2-1,1- and μ3-1,1,1-azide anions bridge five CuII cations to form a linear penta­nuclear cluster unit, which is further linked by μ2-1,1- and μ2-1,3-azide anions to form a two-dimensional condensed [Cu5(N3)12]n layer.

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Si2Br6 and Si2I6 were prepared through de­phenyl­ation of hexa­phenyl­disilane with acetyl bromide or acetyl iodide in the presence of the corresponding aluminium halide. It is inter­esting to note that Si2Br6 and Si2I6 do not form isomorphous structures. Moreover, an ortho­rhom­bic polymorph of the present structure of Si2I6 is already known. Although the title compounds feature such small and simple mol­ecules they show completely different crystal structures.

Special and virtual issues

Acta Crystallographica Section C is planning special issues on

The Structural Chemistry of Homogeneous and Heterogeneous Catalysts

NMR Crystallography

Full details are available on the special issues page.

The latest virtual issue, featuring Coordination polymers and with an introduction by Len Barbour, was published in July 2014.

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

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