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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

December 2000 issue

Highlighted illustration

Cover illustration: The crystal packing of trans-4-[4-(dimethylamino)phenyl­iminomethyl]-N-phenylpyridinium hexafluorophosphate viewed along the b axis. See Coe, Harris, Gelbrich & Hursthouse [Acta Cryst. (2000), C56, 1487-1489].

inorganic compounds


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In the title compound, the V atom is sandwiched between two sulfate groups by corner-sharing to form a discrete [VO2(SO4)2(OH2)2]3− anion. The water mol­ecules occupy cis positions in the equatorial plane of the vanadium octahedron.

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The new non-linear optical crystals LiKB4O7 and LiRbB4O7 contain two kinds of anionic groups, namely (B3O8)7− and (B5O10)5−. The (B3O8)7− chains parallel to the [100] direction are interconnected by sharing O atoms with (B5O10)5− groups.

metal-organic compounds













organic compounds































electronic papers (inorganic compounds)


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The crystal structure of low-temperature Na4Ti5O12 has been determined and refined from X-ray and neutron powder diffraction data at 295 K. The O and Na atoms form a distorted close-packed structure, where Ti atoms occupy octahedral sites.

electronic papers (metal-organic compounds)


Acta Cryst. (2000). C56, e541
doi: 10.1107/S0108270100014773
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Amido complexes of titanium are useful reagents in a variety of syntheses and as precursors for chemical vapor deposition of TiN. The title compound crystallizes with one mol­ecule in the asymmetric unit. The neutral complex shows an unusual fivefold coordination of the titanium centre.

Acta Cryst. (2000). C56, e542
doi: 10.1107/S0108270100014979
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The central structural motif of the [Ti2(SC6H5)9] anion features a face-sharing bi-octahedron. The charge is balanced by a [Li(C4H8O)4]+ cation.

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The title compound has a doubly methoxo-bridged centrosymmetric copper dimer cation involving two tridentate bis­(pyrazolyl)­amine ligands. The geometry of each CuII atom is a distorted square pyramid. The Cu⋯Cu distance is 3.058 (1) Å.

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In the title complex, the U atom is surrounded by seven O atoms giving a distorted pentagonal bipyramidal geometry. The U—Ouranyl and U—Odbm distances (dbm is 1,3-di­phenyl­propane-1,3-dionate) are in the ranges 1.760 (6)–1.776 (5) and 2.308 (4)–2.417 (4) Å, respectively, while the U—Osulfoxide distance is 2.427 (4) Å.

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In the title compound, both central Ag and B atoms lie on twofold axes and exhibit tetrahedral geometries. There seems to be no trigonal–tetrahedral disorder, as is prevalent in the analogous Au complex.

Acta Cryst. (2000). C56, e549
doi: 10.1107/S0108270100014967
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The previously unknown title compound is a centrosymmetric linear trinuclear nickel(II) complex, where the Ni atoms are in an octahedral coordination and the ligand heteroatoms act so as to model amino acid residues.

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The title compound contains two Sn atoms in the asymmetric unit, that complexed by NMP exhibiting an octahedral and the other showing a trigonal–bipyramidal geometry. The most important features are three different Sn—Br bond lengths at both Sn atoms.

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In the title complex, the Pb centre has a distorted octahedral coordination with four μ2-Br ligands and two bridging 4,4-bi­pyridine (bipy) ligands in trans positions. The bipy group acts as a linear bifunctional bridge forming chains in the direction of the b axis. Pairs of bridging bromides join these into two-dimensional layers.

Acta Cryst. (2000). C56, e554
doi: 10.1107/S0108270100015067
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The structure of the title compound at 150 K is essentially identical to that determined at room temperature, with the expected reduction in cell-axis length.

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In the title compound, a distorted octahedral CoIII complex shows an orientational disorder such that the positions of the nitro and aqua ligands are exchanged. As a result, the averaged structure has an inversion centre at the Co atom.

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In the title compound, a distorted octahedral CoIII complex shows an orientational disorder such that the positions of the nitro and chloro ligands are exchanged with 84:16% occupancy. The O atoms of the nitrate ion are disordered over two sites.

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In the title compound, two independent CoIII complexes with a distorted octahedral coordination show an orientational disorder. As a result, the averaged structure has inversion centres at the Co atoms. The perchlorate O atoms are disordered over two sites.

Acta Cryst. (2000). C56, e561
doi: 10.1107/S0108270100015705
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The structure of the title compound has been determined and shows structural parameters comparable to those of the previously reported 3,5-bis­(tri­fluoro­methyl)­pyrazole analogue.

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The title complex forms a three-dimensional network directed by alternating hydrogen-bonding and π–π interactions.

Acta Cryst. (2000). C56, e564
doi: 10.1107/S0108270100017261
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The title mol­ecule is dimeric and the O atoms of the tri­methyl­siloxy groups bridge the two Al atoms to form a four-membered ring.

electronic papers (organic compounds)


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The title compound is the product of the addition reaction of TiBr4 with 2-methyl­pyridine. It can be described as a slightly distorted trigonal bipyramid. The crystal structure is isomorphous with that of the tetra­chloro analogue.

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The title mol­ecule has approximate Cs symmetry. The di­thiane ring adopts a chair conformation with the acetyl substituent in an axial orientation. A weak intermolecular C—H⋯O hydrogen bond (H⋯O 2.39 Å) involves the H atom at the 2-position of the ring.

Acta Cryst. (2000). C56, e569
doi: 10.1107/S0108270100014797
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Myoporum bontioides is a folk medicinal plant from the northwest of China. The EtOH extract from the dried root of Myoporum bontioides was chromatographed to give furan­oeudesmane-B. The relative stereochemistry has been determined.

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A culture of the fungus Pestalotiopsis microspora provided the natural product terrein. The crystal structure, for a sample obtained from methanol solution, is dominated by intermolecular hydrogen bonds.