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Di-?2-isopropano-lato-octa-methyl-bis-(?-4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-ido-?(2) N (1):N (2))di-?3-oxido-tetra-tin(IV).

ABSTRACT: The tetra-nuclear title compound, [Sn4(CH3)8(C3H7O)2O2(C3H4N3S)2], lies about a center of inversion; the mol-ecule features a three-rung-staircase Sn4O4 core in which two Sn(IV) atoms are bridged by the 4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-ide group. The negatively charged N atom of the group binds to the terminal Sn(IV) atom at a shorter distance [Sn-N = 2.236?(2)?Å] compared with the neutral N atom that binds to the central Sn(IV) atom [Sn? N = 2.805?(2)?Å]. The terminal Sn(IV) atom is five-coordinate in a cis-C2SnNO2 trigonal-bipyramidal geometry [C-Sn-C = 136.4?(1)°], whereas the central Sn(IV) atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry [C-Sn-C = 145.4?(1)°]. The C atoms of the isopropoxy group are disordered over two positions in a 0.591?(7):0.409?(7) ratio.

SUBMITTER: Najafi E

PROVIDER: S-EPMC3588787 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Di-?2-ethano-lato-octa-methyl-bis-(?-4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-ido-?(2) N (1):N (2))di-?3-oxido-tetra-tin(IV).

Project description:The tetra-nuclear title compound, [Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2], lies about a center of inversion; the mol-ecule features a three-rung-staircase Sn4O4 core in which two Sn(IV) atoms are bridged by the 4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-ide group. The negatively charged N atom of the group binds to the terminal Sn(IV) atom at a shorter distance [Sn-N = 2.240?(3)?Å] compared with the neutral N atom that binds to the central Sn(IV) atom [Sn? N = 2.641?(3)?Å]. The terminal Sn(IV) atom is five-coordinate in a cis-C2SnNO2 trigonal-bipyramidal geometry [C-Sn-C = 127.5?(2)°], whereas the central Sn(IV) atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry [C-Sn-C = 145.0?(2)°].

| S-EPMC3588786 | biostudies-literature

Di-?(2)-methano-lato-bis-(?-4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazolido-?N:N)di-?(3)-oxido-tetra-kis-[dimethyl-tin(IV)].

Project description:The title distannoxane, [Sn(4)(CH(3))(8)(C(3)H(4)N(3)S)(2)(CH(3)O)(2)O(2)], lies about a center of inversion; the tetra-nuclear mol-ecule features a three-rung-staircase Sn(4)O(4) core in which the two crystallographically independent Sn(IV) atoms are bridged by the triazolide group. The negatively charged N atom of the triazolide group binds to the terminal Sn atom at a shorter distance [Sn-N = 2.239?(2)?Å] compared with the neutral N atom that binds to the central Sn atom [Sn? N = 2.757?(3)?Å]. The oxide O atom is three-coordinate whereas the methano-late O atom is two-coordinate. The terminal Sn atom is five-coordinate in a cis-C(3)SnNO trigonal-bipyramidal environment, whereas the central Sn atom is six-coordinate in a C(2)SnNO(3) skew-trapezoidal-bipyramidal geometry.

| S-EPMC3051439 | biostudies-literature

Di-?(2)-methano-lato-bis-(?-4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazolido-?N:N)di-?(3)-oxido-tetra-kis-[dibutyltin(IV)].

Project description:The asymmetric unit of the title distannoxane, [Sn(4)(C(4)H(9))(8)(C(3)H(4)N(3)S)(2)(CH(3)O)(2)O(2)], contains two mol-ecules, each of which lies about an individual center of inversion. The tetra-nuclear mol-ecule features a three-rung-staircase Sn(4)O(4) core in which two independent Sn(IV) atoms are bridged by the triazolide group. The negatively charged N atom of the triazolide group binds to the terminal Sn atom at a shorter distance [Sn-N = 2.262?(3), 2.254?(3)?Å] compared with the neutral N atom that binds to the central Sn atom[SnN = 2.617?(4); 2.830?(3)?Å]. The oxide O atom is three-coordinate whereas the methano-late O atom is two-coordinate. The terminal Sn atom is five-coordinate in a cis-C(3)SnNO trigonal-bipyramidal environment, whereas the central Sn atom is six-coordinate in a C(2)SnNO(3) skew-trapezoidal-bipyramidal geometry.

| S-EPMC3051783 | biostudies-literature

Dibromidodi-?-hydroxido-di-?(3)-oxido-octa-phenyl-tetra-tin(IV).

Project description:In the centrosymmetric title compound, [Sn(4)Br(2)(C(6)H(5))(8)O(2)(OH)(2)], the four tin(IV) atoms are bridged by the hydroxo and oxo ligands, forming a ladder-like array of three edge-connected Sn(2)O(2) squares. The two independent tin atoms show distorted trigonal-bipyramidal SnC(2)O(3) and SnC(2)O(2)Br coordination geometries.

| S-EPMC2980054 | biostudies-literature

Octa-methyl-bis-(?(2)-2-methyl-benzoato-?O:O')bis-(2-methyl-benzoato-?O)di-?(3)-oxido-tetra-tin(IV).

Project description:The title compound, [Sn(4)(CH(3))(8)(C(8)H(7)O(2))(4)O(2)], is a distann-oxane derivative of 2-methyl-benzoic acid. The crystal structure is composed of centrosymmetric dimers lying about inversion centres. Both independent Sn atoms adopt distorted trigonal-bipyramidal SnC(2)O(3) coordination geometries with the basal planes consisting of two C-atoms from the methyl groups and a bridging O atom. The Sn-C and Sn-O bond lengths lie in the ranges 2.090?(2)-2.104?(3) and 2.0241?(14)-2.2561?(15)?Å, respectively. The central four-membered planar Sn(2)O(2) ring [Sn?Sn distance = 3.2993?(2)?Å] makes dihedral angles of 5.43?(11) and 59.50?(7)° with the methyl-phenyl groups, which are themselves oriented at a dihedral angle of 61.38?(8)°. Besides weak C-H?O and C-H?? inter-actions, the packing mainly features van der Waals forces between the mol-ecules.

| S-EPMC2983126 | biostudies-literature

Dichloridodi-?(2)-hydroxido-di-?(3)-oxido-octa-phenyl-tetra-tin(IV) dimethyl sulfoxide disolvate.

Project description:In the centrosymmetric tetra-nuclear title mol-ecule, [Sn(4)(C(6)H(5))(8)Cl(2)O(2)(OH)(2)]·2C(2)H(6)OS, the two independent tin(IV) atoms show distorted trigonal-bipyramidal SnC(2)O(3) and SnC(2)O(2)Cl coordination geometries. The four tin(IV) atoms are bridged by the hydroxo and oxo ligands, forming a ladder-like array of three edge-connected Sn(2)O(2) squares. The solvent mol-ecules are linked to the tetra-nuclear mol-ecule via O-H?O hydrogen bonds.

| S-EPMC3569190 | biostudies-literature

3-Methyl-sulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine-water (6/1).

Project description:In the title compound, 6C(9)H(10)N(4)S·H(2)O, the dihedral angle between the five-membered triazole ring and the phenyl ring is 44.33 (16)°. The solvent water molecule is disordered about a special position with symmetry and its occupancy cannot be greater than 0.1667. The crystal structure is stabilized by inter-molecular N-H⋯N and C-H⋯N hydrogen bonds.

| S-EPMC2969018 | biostudies-literature

3-Benzyl-sulfanyl-1H-1,2,4-triazol-5-amine.

Project description:In the title mol-ecule, C(9)H(10)N(4)S, the dihedral angle between the benzene and triazole rings is 81.05?(5)°. In the crystal, N-H?N hydrogen bonds link the mol-ecules into infinite zigzag chains along [010].

| S-EPMC3254435 | biostudies-literature

Octa-kis(2-chloro-benz-yl)di-?(2)-hydroxido-di-?(3)-oxido-bis-(2-phenyl-acetato)tetra-tin(IV).

Project description:The asymmetric unit of the title compound, [Sn(4)(C(7)H(6)Cl)(8)(C(8)H(7)O(2))(2)O(2)(OH)(2)], comprises one-half of the centrosymmetric tin(IV) complex. ?(3)-Oxide and ?(2)-hydroxide bridges link the four five-coordinate Sn(IV) atoms to generate three fused four-membered Sn-O-Sn-O rings in a ladder-like structure. The two endocyclic Sn atoms each bind to two ?(3)-oxide anions and a ?(2)-hydroxide ligand, together with two 2-chloro-benzyl groups. The exocyclic Sn atoms each carry a monodentate phenyl-acetate ligand, two 2-chloro-benzyl groups, and ?(3)-oxide and ?(2)-hydroxide ligands. Both types of Sn atoms adopt a distorted trigonal-bipyramidal coordination geometry. The mol-ecular conformation is stabilized by intra-molecular O-H?O inter-actions involving the ?(2)-hydroxide ligands and the C=O group of the phenyl-acetate ligand.

| S-EPMC2979133 | biostudies-literature

Crystal structure of 3-bromo-4-di-methyl-amino-1-methyl-1,2,4-triazol-5(4H)-one.

Project description:The title compound, C5H9BrN4O, was obtained as a minor by-product in the synthesis of 4-di-methyl-amino-1-methyl-1,2,4-triazolin-5-one. Except for the methyl groups of the 4-dimethylamino moiety, all the non-H atoms lie on a crystallographic mirror plane." In the crystal, the mol-ecules are linked by C-Br⋯O=C inter-actions [Br⋯O = 2.877 (2) Å, C-Br⋯O = 174.6 (1)°] into infinite chains in the c-axis direction.

| S-EPMC4331846 | biostudies-literature

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