Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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).

ABSTRACT: 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)°].

SUBMITTER: Najafi E

PROVIDER: S-EPMC3588786 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-μ2-ethano-lato-octa-methyl-bis-(μ-4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-ido-κ(2) N (1):N (2))di-μ3-oxido-tetra-tin(IV).

Najafi Ezzatollah E Amini Mostafa M MM Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20121128 Pt 12

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 ...[more]

PMID: 23468751

Similar Datasets

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).

Project description: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.

| S-EPMC3588787 | biostudies-literature

Di-μ(2)-methano-lato-bis-(μ-4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazolido-κN:N)di-μ(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

Octa-methyl-bis-(μ(2)-2-methyl-benzoato-κO:O')bis-(2-methyl-benzoato-κO)di-μ(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⋯π inter-actions, the packing mainly features van der Waals forces between the mol-ecules.

| S-EPMC2983126 | biostudies-literature

Dibromidodi-μ-hydroxido-di-μ(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

Di-?-ethano-lato-bis-[diethano-lato(2-methyl-quinolin-8-olato)titanium(IV)].

Project description:In the centrosymmetric dinuclear title compound, [Ti(2)(C(10)H(8)NO)(2)(C(2)H(5)O)(6)], the Ti atom is bonded to an N,O-bidentate quinolin-8-olate ligand, two terminal ethano-late anions and two bridging ethano-late anions in a distorted TiNO(5) octa-hedral geometry. An intra-molecular C-H?O hydrogen bond occurs; in the crystal, inter-molecular C-H?O inter-actions help to establish the packing.

| S-EPMC2971800 | biostudies-other

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

Di-μ(2)-methano-lato-bis-(μ-4-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazolido-κN:N)di-μ(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

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

trans-Dichloridobis(3,5-dimethyl-pyridine-?N)(ethano-lato-?O)oxido-rhenium(V).

Project description:The title compound, [Re(C(2)H(5)O)Cl(2)O(C(7)H(9)N)(2)], was crystallized from ethanol. The crystal structure of this complex contains a Re(V) atom in a slightly distorted octahedral coordination geometry with pairs of equivalent ligands in trans positions. Adjacent complex mol-ecules are linked by weak C-H?Cl hydrogen bonds. The crystal structure is additionally stabilized by ?-? stacking inter-actions between the aromatic rings with centroid-centroid distances of 3.546?(4)?Å.

| S-EPMC3212255 | biostudies-literature

cyclo-Tetra-?-oxido-tetra-kis-[(acetyl-acetonato-?O,O')bis-(ethano-lato-?O)niobium(V)].

Project description:The asymmetric unit of the title tetra-nuclear niobium(V) compound, [Nb(4)(C(2)H(5)O)(8)(C(5)H(7)O(2))(4)O(4)], contains two Nb(V) atoms, two bridging O atoms, two acetyl-acetonate and four ethano-late ligands. Each Nb(V) atom is six-coordinated by the bridging O atoms, two ethano-late and one chelating acetyl-acetonate ligands. The Nb-O distances vary between 1.817?(2) and 2.201?(2)?Å and the O-Nb-O angles vary between 78.88?(8) and 102.78?(9)°, illustrating the significant distortion from ideal ocahedral geometry. The rest of the tetra-nuclear unit is generated through an inversion centre. The C atoms of two of the ethano-late mol-ecules are disordered over two sites [occupancy ratio 0.601?(12):0.399?(12)].

| S-EPMC3238602 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data