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Triclinic modification of di-n-butyl-bis(2-hydroxy-benzoato-?O,O)tin(IV).

ABSTRACT: The Sn atom in the title compound, [Sn(C(4)H(9))(2)(C(7)H(5)O(3))(2)], is chelated by the carboxyl-ate groups of 2-hydroxy-benzoate liagnds, and exists in a six-coordinate skew-trapezoidal bipyramidal coordination geometry [C-Sn-C = 140.1?(3)°].

SUBMITTER: Reisi R

PROVIDER: S-EPMC2960726 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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Octa-butyl-bis-(?(2)-2-chloro-5-nitro-benzoato)bis-(2-chloro-5-nitro-benzoato)di-?(3)-oxido-tetra-tin(IV).

Project description:The title complex, [Sn(4)(C(4)H(9))(8)(C(7)H(3)ClNO(4))(4)O(2)], is a cluster formed by a crystallographic inversion center around the central Sn(2)O(2) ring. Both of the two independent Sn atoms are five-coordinated, with distorted trigonal-bipyramidal SnC(2)O(3) geometries. One Sn atom is coordinated by two butyl groups, one O atom of the benzoate anion and two bridging O atoms, whereas the other Sn atom is coordinated by two butyl groups, two O atoms of the benzoate anions and a bridging O atom. The O atoms of the bridging benzoate anion are disordered over two sites with an occupancy ratio of 0.862?(12):0.138?(12). One of the butyl groups coordinated to the Sn(2)O(2) ring is disordered over two sites with an occupancy ratio of 0.780?(8):0.220?(8), whereas both of the two butyl groups coordinated to the other Sn atom are disordered over two sites with occupancy ratios of 0.788?(5):0.212?(5) and 0.827?(10):0.173?(10). All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. In the crystal, complex mol-ecules are stacked down [010] with weak inter-molecular C-H?? inter-actions stabilizing the crystal structure.

| S-EPMC3011528 | biostudies-literature

Crystal structure of bis-(benzoato-?O)di-butyl-tin(IV), nBu2Sn(bzo)2.

Project description:The title compound, [Sn(C4H9)2(C6H5COO)2], was synthesized in order to study the inter-action between di-n-butyl-tin(IV) oxide and some carb-oxy-lic acids. Di-n-butyl-tin(IV) dibenzoate, nBu2Sn(obz)2, exhibits the same structural features as other diorganotin(IV) dibenzoates characterized by an unsymmetrical bidentate bonding mode [?(Sn-O) ? 0.4?Å] of the two benzoate groups to tin. In a first approximation, the coordination sphere at tin resulting from the two stronger bonded O atoms [2.1227?(17) and 2.1405?(16)?Å] and the two ?-C atoms of the n-butyl groups [2.125?(3) and 2.129?(2)?Å] is compressed to a tetra-gonal disphenoid [?(C-Sn-C) = 148.2?(1)° and ?(O-Sn-O) = 82.01?(6)°]. This coordination sphere is expanded by the less strongly bonded two O atoms [2.507?(2) and 2.485?(2)?Å] to a substanti-ally distorted octa-hedron and by a weak inter-molecular Sn?O inter-action [2.943?(2)?Å] to a penta-gonal bipyramid with the formation of centrosymmetric dimers. The unbranched butyl groups adopt two different conformations: anti-gauche [torsion angles: 166.0?(2)-63.9?(4)°] and gauche-gauche [65.0?(3)-56.3?(3)°]. Inter-molecular inter-actions between the dimers are restricted to O?H-C contacts (2.64?Å) and van der Waals inter-actions.

| S-EPMC4992901 | biostudies-other

Triclinic form of bis-{di-?-hydroxidobis[fac-aqua-tribromido-tin(IV)]} hepta-hydrate.

Project description:The asymmetric unit of the title hydrate, 2[Sn(H(2)O)(2)(OH)(2)Br(6)]·7H(2)O, comprises two [Br(3)(H(2)O)Sn(?-OH)(2)SnBr(3)(OH(2))] units, but three independent mol-ecules as two of these are disposed about inversion centres, and seven water mol-ecules. In common with the monoclinic polymorph [Howie et al. (2005 ?). Inorg. Chim. Acta, 358, 3283-3286], each of the dinuclear species features a central Sn(2)O(2) core, distorted octa-hedral Sn atom geometries defined by a Br(3)O(3) donor set, and an anti-disposition of the coordinated water mol-ecules. In the crystal, O(h)-H?O(w), O(a)-H?O(w), O(w)-H?O(w), and O(w)-H?Br (h = hydroxyl, a = aqua, w = water) hydrogen-bonding inter-actions generate a three-dimensional network.

| S-EPMC2983747 | biostudies-literature

Di-n-butyl-bis(N-n-butyl-N-ethyl-dithio-carbamato-κS)tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(4)H(9))(2)(C(7)H(14)NS(2))(2)], exists in a tetra-hedral C(2)S(2)Sn coordination geometry. The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bond S atoms [Sn-S = 2.521 (2) and Sn⋯S = 2.933 (2) Å]. The Sn atom lies on a special position of mm2 site symmetry and the tin-bound n-butyl chain is disordered about a mirror plane. The ethyl and n-butyl groups of the dithio-carbamate unit are disordered about another mirror plane.

| S-EPMC2977630 | biostudies-literature

A triclinic polymorph of bis-(?-di-tert-butyl-phosphanido)bis-[(di-tert-butyl-phosphane)palladium(I)].

Project description:A new polymorph of the title compound, [Pd(2)(C(8)H(18)P)(2)(C(8)H(19)P)(2)], has been found. It belongs to the triclinic P-1 space group, whereas the known form [Leoni, Sommovigo, Pasquali, Sabatino & Braga (1992 ?), J. Organo-met. Chem.423, 263-270] crystallizes in the monoclinic C2/c space group. The title compound features a dinuclear palladium complex with a planar central Pd(2)(?-P)(2) core (r.m.s. deviation = 0.003?Å). The Pd-Pd distance of 2.5988?(5)?Å is within the range of a Pd(I)-Pd(I) bond. The mol-ecules of both polymorphs are located on a crystallographic centre of inversion. The mol-ecular conformations of the two polymorphs are essentially identical. The crystal packing patterns, on the other hand, are slightly different.

| S-EPMC3379177 | biostudies-literature

Monoclinic modification of di-n-butyl-dichlorido(1,10-phenanthroline-?N,N')tin(IV).

Project description:The Sn(IV) atom in the title compound, [Sn(C(4)H(9))(2)Cl(2)(C(12)H(8)N(2))], is chelated by the N-heterocycle; the n-butyl groups are trans to each other whereas the Cl atoms are cis to each other. The crystal studied was a non-merohedral twin with the minor domain being in a 15.8?(1)% proportion.

| S-EPMC3011636 | biostudies-literature

Di-n-butyl-bis-(thio-cyanato-κN)(1,10-phenanthroline-κN,N')tin(IV).

Project description:In the asymmetric unit of the title compound, [Sn(C(4)H(9))(2)(NCS)(2)(C(12)H(8)N(2))], there are two independent mol-ecules, both lying on a twofold rotation axis. The axis passes through the mid-point of the 1,10 and 5,6 bonds of the N-heterocycle and through the Sn atom. The Sn atoms show a slightly distorted SnC(2)N(4) octa-hedral coordination.

| S-EPMC3051678 | biostudies-literature

Bis(N-benzyl-N-isopropyl-dithio-carbamato-κS)di-n-butyl-tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(4)H(9))(2)(C(11)H(14)NS(2))(2)], exists in a tetra-hedral C(2)S(2)Sn coordination geometry. The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bonded S atoms. The C(2)Sn angles range from 129.0 (2) to 136.9 (2)°, the covalent Sn-S lengths from 2.529 (1) to 2.544 (1) Å, and the dative Sn←S lengths from 2.831 (1) to 3.042 (1) Å in the five independent mol-ecules comprising the asymmetric unit. Two of the butyl groups were modelled over two positions of equal occupancy. All butyl groups were refined with distance restraints.

| S-EPMC2977631 | biostudies-literature

Di-n-butyl-bis-(N-ethyl-N-phenyl-dithio-carbamato-κS)tin(IV).

Project description:The title compound, [Sn(C(4)H(9))(2)(C(9)H(10)NS(2))(2)], features a tetra-hedrally coordinated Sn(IV) atom; the dithio-carbamate ligands coordinate in a monodentate fashion, accompanied by two n-butyl chains. The non-coordinating thione S atoms are each proximate to the Sn(IV) atom [3.0136 (7) and 2.9865 (8) Å], giving rise to distortions from the ideal geometry as evident in the wide C-Sn-C bond angle of 139.06 (12) °. In the crystal, C-H⋯S inter-actions lead to the formation of a linear supra-molecular chain along the b axis. The chains are aligned into layers by C-H⋯π inter-actions, and the layers stack along [001]. One of the ethyl groups is statistically disordered over two sets of sites.

| S-EPMC3254340 | biostudies-literature

Di-tert-butyl-bis(N-isopropyl-N-methyl-dithio-carbamato-κS,S')tin(IV).

Project description:The dithio-carbamate anions in the title compound, [Sn(C(4)H(9))(2)(C(5)H(10)NS(2))(2)], chelate to the Sn(IV) atom, which is six-coordinated in a skew-trapezoidal-bipyramidal geometry. The mol-ecule lies across a twofold rotation axis. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.82 (1):0.18 (1).

| S-EPMC2983955 | biostudies-literature

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