Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-butyl-ammonium bis-[4,4'-dimethyl-2,2'-(3,7-dimethyl-1H-4,2,1-benzothiaza-siline-1,1-di-yl)dibenzene-thiol-ato]vanadium(III) acetonitrile tetra-solvate.

ABSTRACT: In the title compound, [N(C(4)H(9))(4)][V(C(23)H(21)NS(3)Si)(2)]·4CH(3)CN, the V(III) atom (site symmetry ) is coordinated by two N,S,S'-tridentate 4,4'-dimethyl-2,2'-(3,7-dimethyl-1H-4,2,1-benzothiaza-siline-1,1-di-yl)dibenzene-thiol-ate ligands in a distorted trans-VN(2)S(4) octa-hedral geometry. The complete cation is generated by crystallographic twofold symmetry, with the V atom lying on the rotation axis. The unusual ligand arose from nucleophilic attack on the coordinated nitrile by the thiol-ate precursor and reduction of nitrile to the imidate.

SUBMITTER: Tsai YF

PROVIDER: S-EPMC3006863 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Tetra-butyl-ammonium bis-[4,4'-dimethyl-2,2'-(3,7-dimethyl-1H-4,2,1-benzothiaza-siline-1,1-di-yl)dibenzene-thiol-ato]vanadium(III) acetonitrile tetra-solvate.

Tsai Yi-Fang YF Hsu Hua-Fen HF Hsu Kuei-Fang KF Wang Ju-Chun JC

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

In the title compound, [N(C(4)H(9))(4)][V(C(23)H(21)NS(3)Si)(2)]·4CH(3)CN, the V(III) atom (site symmetry ) is coordinated by two N,S,S'-tridentate 4,4'-dimethyl-2,2'-(3,7-dimethyl-1H-4,2,1-benzothiaza-siline-1,1-di-yl)dibenzene-thiol-ate ligands in a distorted trans-VN(2)S(4) octa-hedral geometry. The complete cation is generated by crystallographic twofold symmetry, with the V atom lying on the rotation axis. The unusual ligand arose from nucleophilic attack on the coordinated nitrile by the t ...[more]

PMID: 21587755

Similar Datasets

1,1'-Dimethyl-4,4'-bipyridinium bis-(tetra-fluorido-borate).

Project description:In the title compound, C(12)H(14)N(2) (2+)·2BF(4) (-), the cation has a centre of symmetry at the mid-point of the central C-C bond. π-π inter-actions, with a shortest atom-to-atom distance of 3.757 (4) Å, extend the crystal structure into a one-dimensional supra-molecular chain.

| S-EPMC2915310 | biostudies-literature

Tetra-ethyl-ammonium (2,2'-bipyridine)tetra-cyanidocobaltate(III) sesquihydrate acetonitrile solvate.

Project description:The title complex, (C(8)H(20)N)[Co(CN)(4)(C(10)H(8)N(2))]·CH(3)CN·1.5H(2)O, consists of tetra-ethyl ammonium cations, mononuclear [Co(III)bpy(CN)(4)](-) anions and uncoordinated water and acetonitrile mol-ecules. The Co(III) atom is six-coordinated by two 2,2'-bipyridine (bpy) N atoms and four cyanide C atoms in a distorted octa-hedral geometry. The acute bite angle of the chelating bpy [82.28?(8)°] is the main factor accounting for this distortion. In addition, the tetra-ethyl-ammonium cation is significantly disordered [occupancy ratio 0.611?(3):0.389?(3)]. The presence of water mol-ecules, one of which is disordered over two positions about an inversion center, results in the formation of a network of O-H?N hydrogen bonds involving the cyanide N atoms.

| S-EPMC2983854 | biostudies-other

Acetato-aqua-{4,4',6,6'-tetra-tert-butyl-2,2'-[(2-pyridyl-meth-yl)imino-dimethyl-ene]diphenolato}manganese(III) ethanol solvate.

Project description:In the title complex, [Mn(C(36)H(50)N(2)O(2))(CH(3)COO)(H(2)O)]·CH(3)CH(2)OH, the Mn(III) atom is in an octa-hedral environment and is coordinated by the tetra-dentate amine-bis-(phenolate) ligand, a monodentate acetate anion and a water mol-ecule. An ethanol solvent mol-ecule is also found in the asymmetric unit. The structure displays O-H⋯O and C-H⋯O hydrogen bonding.

| S-EPMC3006980 | biostudies-literature

Tris(4,4'-di-tert-butyl-2,2'-bipyridine-?N,N')molybdenum(II) ?(6)-oxido-dodeca-?(2)-oxido-hexa-oxidohexa-molybdate(VI) acetonitrile tetra-solvate.

Project description:The asymmetric unit of the title compound, [Mo(C(18)H(24)N(2))(3)][Mo(6)O(19)]·4CH(3)CN, comprises an [Mo(di-t-Bu-bipy)(3)](2+) cation (di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine), two halves of Lindqvist-type [Mo(6)O(19)](2-) anions (with each anion completed by the application of a center of inversion) and four acetonitrile solvent mol-ecules. The geometry around the metal atom of the cation resembles a distorted octa-hedron, with each of the three di-t-Bu-bipy ligands being almost planar [deviation from planarity < 6.3?(2)°]. Supra-molecular inter-actions, namely Mo=O??, C N??, C-H?O and C-H?N, along with electrostatic forces, mediate the crystal packing. Two of the tert-butyl groups are affected by rotational disorder which was modeled over two distinct positions with major site occupancies of 0.707?(9) and 0.769?(8).

| S-EPMC3238728 | biostudies-literature

1,1'-Dimethyl-4,4'-(propane-1,3-di-yl)dipyridinium tetra-bromidocadmate(II).

Project description:In the cation of the title compound, (C(15)H(20)N(2))[CdBr(4)], the dihedral angle between the two pyridine rings is 70.85?(5)°. An inter-molecular ?-? inter-action between the pyridine rings [centroid-centroid distance = 3.900?(4)?Å] is observed. The Cd(II) atom has a distorted tetra-hedral coordination.

| S-EPMC2959373 | biostudies-literature

Tetra-butyl-ammonium butyl-tetra-chlorido-stannate(IV).

Project description:In the title compound, [N(C4H9)4][Sn(C4H9)Cl4], the Sn(IV) atom of the stannate anion has a trigonal-bipyramidal coordination sphere by two Cl atoms and one butyl chain in the equatorial plane and by two Cl atoms in the apical positions. Two of the four butyl chains of the tetra-butyl-ammonium cation are partially disordered, each with refined site occupancies of 0.691?(6):0.309?(6). Weak C-H?Cl hydrogen-bonding inter-actions help to consolidate the crystal packing, as well as a short Cl?Cl inter-action of 3.295?(2)?Å.

| S-EPMC3790365 | biostudies-literature

Dichlorido(4,4'-di-tert-butyl-2,2'-bi-pyridine-κN,N')gold(III) tetrachlorido-aurate(III) acetonitrile solvate.

Project description:In the title compound, [AuCl(2)(C(9)H(12)N)(2)][AuCl(4)]·C(2)H(3)N, there is a mirror plane passing through Au and the central C-C bond of the bipyridyl ligand in the cation, and through Au and two Cl atoms of the anion. A cis-AuCl(2)N(2) square-planar geometry for the cation and a square-planar AuCl(4) geometry for the anion result. The two C atoms and the N atom of the acetonitrile mol-ecule all have m site symmetries. In the crystal structure, weak C-H⋯Cl inter-actions may help to establish the packing.

| S-EPMC2960475 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenol acetone solvate.

Project description:In the Schiff base mol-ecule of the title compound, C(36)H(48)N(2)O(2)·C(3)H(6)O, the central benzene ring makes dihedral angles of 46.64?(10) and 49.34?(10)° with the two outer benzene rings, and the two outer benzene rings form an angle of 39.13?(8)°. There are two intra-molecular O-H?N hydrogen bonds involving the two hydr-oxy groups, which generate S(6) ring motifs. In the crystal structure, the Schiff base mol-ecules are linked into a chain along the a axis by C-H?? inter-actions. The acetone solvent mol-ecules are attached to the chain via C-H?O hydrogen bonds.

| S-EPMC2960780 | biostudies-literature

Tetra-n-butyl-ammonium bis-(2,2-dicyano-ethyl-ene-1,1-dithiol-ato)palladium(II).

Project description:In the title compound, (C(16)H(36)N)(2)[Pd(C(4)N(2)S(2))(2)], the Pd(II) center adopts a distorted square-planar geometry due to the four-membered chelate rings formed by coordination of the 2,2-dicyano-ethyl-ene-1,1-dithiol-ate (i-mnt) ligands [bite angle 75.0159 (17)°]. The bond distances in the coordinated i-mnt ligands indicate some delocalization of the π-system.

| S-EPMC2959997 | biostudies-literature

Tetra-n-butyl-ammonium bis-(1,1-dicyano-ethyl-ene-2,2-dithiol-ato)platinum(II).

Project description:In the title compound, (C(16)H(36)N)(2)[Pt(C(4)N(2)S(2))(2)], the Pt(II) center adopts a distorted square-planar geometry due to the 4-membered chelate rings formed by coordination to the S atoms of the 1,1-dicyano-ethyl-ene-2,2-dithiol-ate (i-mnt) ligands [bite angle 74.35 (4)°]. The bond distances in the coordinated i-mnt ligands indicate some delocalization of the π-system.

| S-EPMC2959936 | 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