issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

July 1998 issue

Highlighted illustration

Cover illustration: [Ph4P]2[Sb2S15], see Rijnberk, Näther, Schur, Jess & Bensch, pages 920-923. The [Sb2S15]2- anion is shown with displacement ellipsoids plotted at the 50% probability level.

cif-access (inorganic compounds)


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Na4[Fe(CN)6].10H2O crystallizes with the Fe atom lying on an inversion centre and the cyano groups in a regular octahedral arrangement around it. The water molecules form a hydrogen-bonded network and are arranged around the Na atoms.

cif-access (metal-organic compounds)


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The repeating unit in this polymeric structure involves both thiourea ligands and one 2-fluorobenzoate ligand. The Pb atom is coordinated by four O atoms from three 2-fluorobenzoate ligands and four S atoms from four thiourea ligands. The Pb⋯Pb separation is 3.74 Å. The many hydrogen bonds include three-centered hydrogen bonds involving C-F bonded F atoms.

cif-access (organic compounds)


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The structure of the cholic acid–methanol–water inclusion complex is similar to that of cholic acid with methanol [Jones & Nassimbeni (1990). Acta Cryst. B46, 399-405]. The methanol guest is hydrogen bonded to the water molecule, which in turn participates in hydrogen bonds with three of the cholic acid O atoms.

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Cedranediol, (1R,2R,5S,7R,8R,9S)-2,6,6,8-tetramethyltricyclo-[5.3.1.01,5]undecane-8,9-diol, has been synthesized and characterized by X-ray diffraction analysis. It is a new chiral auxiliary for asymmetric homologation.

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The title compound, synthesized from the [2+2] cycloaddition of dichloroketene with 1-(benzoyloxy)methyl-3-methyl-2-butene, is shown to have the benzoyloxymethyl group at the 4 position. The cyclobutanone ring is puckered with a 28.6(2)° fold angle.

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The N-H group of the title molecule forms an intramolecular N-H⋯N hydrogen bond [N⋯N 2.836 (3) Å] and is shielded from possible intermolecular acceptors by the SiMe3 groups.

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The azapurine base has a slight butterfly shape with a 4.0 (3)o interplanar angle between the five-membered triazolo and six-membered pyrimidine rings. The β-D-xylopyranosyl ring has a 4C1 conformation.

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The pyrrolidine ring has a twist conformation with a pseudo-twofold axis passing through the N atom. The crystal packing is stabilized by an intermolecular hydrogen bond.

inorganic compounds


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Ta4O(Te2)4TeI4 contains Ta4O clusters in the form of distorted oxygen-centred tetrahedra. Neighbouring pairs of Ta4O clusters are linked by a μ4 Te atom to form a one-dimensional chain structure.

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Hexakis(tetratelluriotantalum) tetraiodide hexaiodotantalate has a [TaTe4]n chain structure with TaI6 complex anions and I anions between the chains. The [TaTe4]n chain contains rectangular antiprismatic TaTe8 polyhedra, each Ta atom being coordinated by four Te2 groups.

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The single crystal of CO2 at 1.00 (5) GPa pressure exhibits Pa-3 symmetry with a = 5.4942 (2) Å and a C-O bond length of 1.168 (1) Å (corrected for thermal motion effects). The study demonstrates that an earlier claim of a new dry ice II phase at this pressure is unfounded.

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Nb9AsO25 is isostructural with Nb9PO25 (I4/m). The structure contains 3 × 3 ReO3-type columns of distorted NbO6 octahedra.

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Lithium trithioarsenate, a new member of the M3AX3 group of compounds, contains AsS3 pyramids in which all the S atoms are non-bridging. The Li atoms form LiS4 tetrahedra and LiS3+2 distorted trigonal bipyramids.

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The reaction of Rb2S3, NbO and S yields single crystals of Rb3NbS4 with the K3VS4 structure type. The structure is based on Rb+ cations and discrete tetrahedral NbS43− anions.

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organic compounds













































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.

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