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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

May 2000 issue

Highlighted illustration

Cover illustration: A simplified packing diagram showing the anionic network of tris­(2,2'-bi­pyridyl)nickel(II) thio­sul­fate heptahydrate, with H atoms omitted. See Freire et al. [Acta Cryst. C56, 541-543].

inorganic compounds


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The framework of Na2Co(H2PO4)4·4H2O is built up from cobalt complex ions of the form [Co(H2PO4)4(OH2)2]2− connected via hydrogen bonds.

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KNi3(AsO4)(As2O7) has a three-dimensional open anionic framework comprised of NiO6 octahedra, AsO4 tetrahedra and As2O7 groups sharing corners and edges. These delimit parallel tunnels running aong the b direction in which the K+ ions are located.

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A three-dimensional hydrogen-bonded network exists between [Co(SeO3)(NH3)4]NO3 and the water mol­ecule. The nitrate anion and water mol­ecule form open pores in the structure when hydrogen bonded to two neighboring [Co(SeO3)(NH3)4]+ cations.

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A re-investigation of the caesium titanyl arsenate room-temperature structure using a single-domain crystal shows that there is a substantial disorder of the Cs atoms over additional sites.

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The crystal structure of the title compound is built up from face-sharing TiF6 antiprisms and KF12 polyhedra. The compound seems to be optically isotropic at approximately 720 nm.

metal-organic compounds



















organic compounds























electronic papers (inorganic compounds)


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In the title compound, the anion has the I atom on an inversion centre and exhibits non-crystallographic symmetry close to \overline 3m. The cations are bonded exclusively to water ligands, in contrast to the situation in the disodium cobalt(II) salt [Rosu & Dickman (1999). Acta Cryst. C55, 11–13].

electronic papers (metal-organic compounds)


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The title compound contains a linear [Re2O3]4+ core and hexacoordinate ReV atoms. There is an inversion centre at the central bridging O atom. There is an inversion centre at the central bridging O atom. The distorted octahedral coordination of the ReV atom consists of an N2O2 donor set from the tetradentate imine–phenol ligand.

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The crystal structure of penta­carbonyl­(pyrrolidin-2-yl­idene)­chromium(0) shows strong interaction between the lone pair at nitro­gen and the carbene C atom, and a weak intermolecular hydrogen bond between N—H and a carbonyl ligand.

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In the title compound, [SnCl3(CH3)(C6H5SOCH2)2]n, determined as part of structural studies on adducts of halide–organotin compounds with sulfoxide derivatives, the octahedral SnIV centres are bridged by meso-1,2-bis­(phenyl­sulfinyl)­ethane ligands forming infinite chains along the [100] direction.

Acta Cryst. (2000). C56, e178
doi: 10.1107/S0108270100004819
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The title compound is isostructural with the copper(II) analogue. The structure consists of complex cations linked by hydrogen bonds to acetate anions.

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The structure of the title compound at 298 K is virtually identical to the 173 K structure reported previously [Weng, Das & Robinson (1990). Malays. J. Sci. 12, 57]. The primary coordination of the Sn atom in both mol­ecules of the asymmetric unit is in the form of a distorted tetrahedron. The distortion towards a trigonal-bipyramidal arrangement is brought about by a weak interaction between the Sn atom and the carbonyl O atom of the benzoate moiety.

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In the structure of the title compound, the W atom is octahedral with one axial and four equatorial carbonyl groups, and with an axial monodentate dipyridyl­amine ligand having the secondary amine NH and the uncoordinated pyridyl N atom directed towards and away from the W atom, respectively.

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The crystal structure of the title complex, studied as part of a systematic investigation of Mo(W) main-group hybrid clusters, contains discrete [BiI6]3− anions together with (HNC5H5)+ and (CH3COCH2NC5H5)+ cations separated by normal van der Waals contacts. The [BiI6]3− anion has the Bi atom on an inversion centre. The (HNC5H5)+ cation also lies about an inversion centre and is disordered. The (CH3COCH2NC5H5)+ cation lies in a general position.

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The title centrosymmetric copper(II) binuclear complex, prepared to observe how C—Se bonds are activated by transition metal active centers, is built from two symmetry-related [Cu{Se2CN(Et)2}2] units by pairs of Cu—Se bonds. The coordination geometry at the unique Cu atom is distorted square pyramidal, displaying Cu—Se distances ranging from 2.4091 (11) to 2.9095 (10) Å.

Acta Cryst. (2000). C56, e187
doi: 10.1107/S0108270100004492
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The title compound has a distorted square-pyramidal coordination with an Mn N bond length of 1.516 (2) Å at the apical position. The central five-membered chelate ring adopts a gauche conformation with the two phenyl groups in equatorial orientations.

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The title complexes show monomeric structures with a distorted square-pyramidal coordination. The two phenyl groups on the central five-membered chelate ring are both on the same side of the oxo ligand for the exo> isomer and on the opposite side for the endo> isomer.

Acta Cryst. (2000). C56, e190
doi: 10.1107/S0108270100004534
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The title mononuclear oxovanadium(IV) complex has a distorted square-pyramidal coordination. The complex was shown to be the exo> isomer.

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The title mononuclear iron(II) complex has a slightly distorted octahedral coordination. One of the thio­cyanate ions and one of the water mol­ecules of crystallization show positional disorder.

Acta Cryst. (2000). C56, e193
doi: 10.1107/S0108270100005540
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The title complex shows a binu­clear cage structure having an inversion centre. There are intramolecular N—H⋯O hydrogen bonds between the 7-aza­indole ligands and the bridging acetate O atoms.

Acta Cryst. (2000). C56, e194
doi: 10.1107/S0108270100005552
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In the title complex, two [Mn(salen)] moieties are connected through a μ-acetate bridge in a synanti fashion. The Mn⋯Mn distance is 5.365 (1) Å.

Acta Cryst. (2000). C56, e195
doi: 10.1107/S0108270100005564
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In the title dinuclear CuII compound, the coordination geometry around the Cu atoms is square pyramidal, with the bridging Cl atom at the apical positions. The Cu—Cl—Cu angle is 136.9 (1)° and the Cu⋯Cu distance is 4.961 (1) Å.

Acta Cryst. (2000). C56, e196
doi: 10.1107/S0108270100005576
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The title mono­nuclear copper(II) complex shows a distorted square-planar coordination. The benzoyl­amino N atom does not coordinate to the Cu atom and is involved in a weak bifurcated hydrogen bond with two F atoms of the hexa­fluoro­phos­phate anion.

Acta Cryst. (2000). C56, e197
doi: 10.1107/S0108270100005588
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The title mononuclear copper(II) compound shows a slightly tetrahedrally distorted square-pyramidal coordination with the chlorine ligand at the apical position. The directions of the two N—Me bond axes are syn with respect to the Cu—Cl bond.

Acta Cryst. (2000). C56, e198
doi: 10.1107/S010827010000559X
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The title mononuclear copper(II) complex shows a square-pyramidal coordination with the diethyl­amino N atom at the apical position. Large anisotropies in the displacement parameters of the non-H atoms of the ligand seem to be due to rotational disorder of the ClO4 anion.

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The two title mononuclear oxovanadium(IV>) complexes, (I>) and (II>), respectively, have distorted square-pyramidal coordination and the 3-carboxy groups form intramolecular O—H⋯O hydrogen bonds with the coordinated salicyl O atoms. In complex (I>), the methanol ligand coordinates to the V atom trans with respect to the oxo ligand and is involved in an intermolecular O—H⋯O hydrogen bond.

Acta Cryst. (2000). C56, e201
doi: 10.1107/S0108270100005680
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The structure of the title copper(II) complex has been redetermined from an untwinned crystal. The structure was originally reported with insufficient accuracy because of a twinning problem [Adams, Bailey, Campbell, Fenton & He (1996). J. Chem. Soc. Dalton Trans. pp. 2233–2237]. The dinuclear phenolate-bridged CuII complex, which displays a long Cu–phenolic O atom bond, has an inversion centre.

electronic papers (organic compounds)


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In the crystals of the two title salts of chloranilic acid, the chloranilate ions are present as hydrogen-bonded dimers lying about inversion centres. The ethyl­ammonium and diethyl­ammonium ions link the dimers through N—H⋯O hydrogen bonds, forming a three-dimensional hydrogen-bond network in one structure and a one-dimensional chain in the other.

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The title compound contains a planar isoxazole ring. An intramolecular hydrogen bond is formed between the OH group attached to a phenyl ring and a carbonyl O atom.

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In the title compound, the β-lactam ring is essentially planar. The C—C bond opposite the lactam C—N bond is significantly lengthened to 1.591 (2) Å because of the ring substituents.

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The study of acetazol­amide-derived sulfon­amides has led to the preparation and crystallographic characterization of a new member of this family of compounds with potential carbonic anhydrase inhibitory properties.

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The title compound, N1-[4-(1,1-di­methyl­propyl)­benzyl­idene]­pyridine-2-carbox­amid­ra­zone, is a particularly active anti­myco­bac­terial agent. Its aromatic rings are linked by a fully extended chain, with only small twists. The amino group makes intra- and inter­molecular N—H⋯N contacts.

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In the title compound, the Z configuration has been confirmed. The molecular structure shows an intramolecular N—H⋯N hydrogen bond which could be responsible for the Z configuration.

Acta Cryst. (2000). C56, e215
doi: 10.1107/S010827010000528X
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The structure analysis of the title macrobicyclic 1,3-diketone establishes a trans configuration of the two fused rings.

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The title mol­ecules, (I>) and (II>), respectively, exhibit different hist­amine H3-receptor activity and they are used as model compounds for evaluation of the activation mechanism of the H3 receptor.

Acta Cryst. (2000). C56, e218
doi: 10.1107/S0108270100005485
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The title compound was synthesized as a model compound for substituted diequatorial fixed vicinal trans-cyclo­hexane­diols.

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The poly­seleno title compound, bis(N,N-diethyl­seleno­carbamoyl) tri­selenide, was obtained from the disproportion of sodium N,N-diethyl-1,1-di­seleno­carbamate. An Se atom connects two N,N-diethyl-1,1-di­seleno­carbamate groups with Se—Se distances in the range 2.4500 (11)–2.8601 (12) Å.

Acta Cryst. (2000). C56, e221
doi: 10.1107/S0108270100004467
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The title thio­amide undergoes photocyclization in the solid state. The central C=C—N—C(=S)—C=C moiety adopts a shape like a portion of a helix. Intramolecular rotation of the N—Ph ring does not seem to be disturbed by the 4-methoxy group.

Acta Cryst. (2000). C56, e222
doi: 10.1107/S0108270100005606
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The relative configuration was determined for the title compound, which was prepared in a synthetic study on immunosuppressant FR65814. There is an intramolecular hydrogen bond between the hydroxy and epoxy groups.

Acta Cryst. (2000). C56, e223
doi: 10.1107/S0108270100005618
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The relative configuration was determined for the title compound, which was prepared in a synthetic study on the natural product sphingofungin E. The six-membered ring adopts a chair form and the five substituents are all in axial positions.

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The title compounds, (I>) and (II>), respectively, are two minor products of the reaction of tert-butyl 2-(2-amino-3-pyridyl­oxy)­acetate with thio­phosgene in chloro­form. Compound (II>) contains the novel 1,2,4-thia­diazo­lo­[4,3-a]­pyridine-3-thione fused-ring system.

Acta Cryst. (2000). C56, e227
doi: 10.1107/S0108270100005692
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The title compound has a boat-shaped heterocyclic six-membered ring such that the S and N atoms lie essentially in the plane of the benzene ring while the remaining two C atoms are above this plane.

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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