Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis-(dimethyl sulfoxide-κO)-disaccharinatocadmium.

ABSTRACT: The title compound, [Cd(C(7)H(4)NO(3)S)(2)(C(2)H(6)OS)(2)(H(2)O)(2)], contains a Cd(2+) cation in an octahedral coordination environment. The metal atom is surrounded by the two different neutral ligands dimethyl sulfoxide (DMSO) and water, each coordin-ating through the O atom. The anionic saccharinate (sac; 1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia-zol-2-ide) ligand coordin-ates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Cd atom lies on a crystallographic center of symmetry. The DMSO ligand coordinates through the lone pair of electrons on the O atom, as can be seen from the Cd-O-S bond angle of 123.96 (9)°.

SUBMITTER: Potwana FS

PROVIDER: S-EPMC3247552 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis-(dimethyl sulfoxide-κO)-disaccharinatocadmium.

Potwana Fezile S W FS Van Zyl Werner E WE

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The title compound, [Cd(C(7)H(4)NO(3)S)(2)(C(2)H(6)OS)(2)(H(2)O)(2)], contains a Cd(2+) cation in an octahedral coordination environment. The metal atom is surrounded by the two different neutral ligands dimethyl sulfoxide (DMSO) and water, each coordin-ating through the O atom. The anionic saccharinate (sac; 1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia-zol-2-ide) ligand coordin-ates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. ...[more]

PMID: 22219857

Similar Datasets

Diaqua-bis-(dimethyl sulfoxide-κO)bis(saccharinato-κN)cobalt(II).

Project description:The title complex, [Co(C(7)H(4)NO(3)S)(2)(C(2)H(6)OS)(2)(H(2)O)(2)], contains a Co(2+) cation in an octa-hedral coordination environment. The metal atom is surrounded by two different neutral ligands, namely dimethyl-sulfoxide (DMSO) and water, each coordinating through the O atom. The anionic saccharinate (sac; 1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia-zol-2-ide) ligand coordinates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Co atom lies on a crystallographic center of symmetry and the octa-hedral geometry is not significantly distorted. A short O-H⋯O hydrogen bond is present between a water H atom and the ketone O atom; two longer hydrogen bonds (intra- and inter-molecular) are also present between a water H and a sulfonic O atom, forming a supramolecular assembly through head-to-tail aggregation between adjacent complexes.

| S-EPMC3238601 | biostudies-literature

Bis(dimethyl sulfoxide-κO)bis-(mercapto-acetato-κO,S)tin(IV).

Project description:In the title compound, [Sn(C(2)H(2)O(2)S)(2)(C(2)H(6)OS)(2)], the mercaptoacetato ligands chelate to Sn(IV) through S and one O atoms. The metal centre is also coordinated by two dimethyl sulfoxide (DMSO) ligands through the O atom, leading to an overall distorted octahedral coordination environment for the Sn(IV) atom. The mol-ecular adduct lies on a twofold rotation axis.

| S-EPMC2971123 | biostudies-literature

Bis(chlorido)(dimethyl-sulfoxide-κO)barium(II).

Project description:The title compound, [BaCl(2)(C(2)H(6)SO)], forms a Ba(6)Cl(9) cluster in which the BaCl(2) units are connected via dimethyl-sulfoxide (DMSO) and chloride bridges. The central Cl atom of the Ba(6)Cl(9) cluster is located on a threefold inversion axis and is coordinated octa-hedrally to six barium cations. In the crystal, the clusters are arranged in rows, which are inter-connected by the DMSO mol-ecules, forming a three-dimensional network.

| S-EPMC3515089 | biostudies-literature

Bis(dimethyl sulfoxide-κO)bis(saccharinato-κN)-zinc(II).

Project description:The title compound, [Zn(C(7)H(4)N(2)O(3)S)(2)(C(2)H(6)OS)(2)], is a neutral four-coordinate complex with a tetra-hedral geometry. The metal atom is surrounded by the two dimethyl sulfoxide (DMSO) ligands, each coordinating through the O atom, and two anionic saccharinate (1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzo-thia-zol-2-ide) ligands coordinating through the N atom. The tetra-hedral geometry is slightly distorted as is evident from the N-Zn-N bond angle of 113.85 (6)°, the O-Zn-O bond angle of 98.92 (6)° and O-Zn-N bond angles of 116.96 (6) and 103.93 (6)°. The Zn-N bond lengths are 1.9742 (15) and 2.0025 (16) Å. The Zn-O bond lengths are 1.9806 (14) Å and 1.9468 (14) Å. The DMSO ligand coordinates through the lone pair of electrons on the O atom, as can be seen from the Zn-O-S bond angle of 131.30 (8)°.

| S-EPMC3238599 | biostudies-literature

cis-Bis(2,2'-bipyridine-κN,N')bis-(dimethyl sulfoxide-κO)zinc bis-(tetra-phenyl-borate) dimethyl sulfoxide monosolvate.

Project description:In the mononuclear title complex, [Zn(C(10)H(8)N(2))(2)(C(2)H(6)OS)(2)](C(24)H(20)B)(2)·C(2)H(6)OS, the Zn(II) ion is coordinated by four N atoms of two bidentate 2,2'-bipyridine mol-ecules and by the O atoms of two cis-disposed dimethyl sulfoxide mol-ecules in a distorted octa-hedral geometry. The S atom and the methyl groups of one of the coordinated dimethyl sulfoxide mol-ecules are disordered in a 0.509 (2):0.491 (2) ratio. The crystal packing is stabilized by C-H⋯O hydrogen bonds between the dimethyl sulfoxide solvent mol-ecules and tetra-phenyl-borate anions.

| S-EPMC3238690 | biostudies-literature

(Dimethyl sulfoxide-κO)bis-(thio-semicarbazide-κN,S)zinc dipicrate dimethyl sulfoxide solvate monohydrate.

Project description:The title complex, [Zn(CH(5)N(3)S)(2)(C(2)H(6)OS)](C(6)H(2)N(3)O(7))(2)·C(2)H(6)OS·H(2)O, is composed of a [Zn(thio-semi-carbazide)(2)(DMSO)](2+) cation (where DMSO is dimethyl sulfoxide), and two picrate anions. In the asymmetric unit, there is also a solvent mol-ecule of DMSO and a water mol-ecule of crystallization. In the cation, the Zn(II) atom is five-coordinated in a distorted square-pyramidal geometry. It coordinates to the O atom of a DMSO mol-ecule and to the S and one N atom of two thio-semicarbazide mol-ecules, which behave as bidentate ligands coordinating in a trans arrangement. In the crystal, a number of N-H⋯O, O-H⋯O and N-H⋯S hydrogen bonds link the mol-ecules into two-dimensional networks. These networks are further linked via weak C-H⋯O inter-actions, forming a three-dimensional arrangement. Positional disorder in one methyl group of the coordinated DMSO molecule and in the two picrate anions was observed.

| S-EPMC3051735 | biostudies-literature

Di-μ-chlorido-bis[chloridobis(dimethyl sulfoxide-κO)tin(II)].

Project description:The structure of the title compound, [Sn(2)Cl(4)(C(2)H(6)OS)(4)], contains dimers formed through weak Sn⋯Cl [3.691 (2) Å] inter-actions, resulting in a planar Sn(2)Cl(2) core with an inversion center at the centre of the four-membered ring. The Sn(II) atoms are penta-coordinated and have a distorted octa-hedral Ψ-SnCl(3)O(2) coordination geometry. The O atoms from the dimethyl sulfoxide mol-ecules occupy trans positions, while the Cl atoms exhibit a meridional arrangement.

| S-EPMC3100018 | biostudies-literature

Diaqua-bis[4-(dimethyl-amino)-benzoato]-κO,O';κO-(isonicotinamide-κN)cobalt(II).

Project description:The title Co(II) complex, [Co(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-dimethyl-amino-benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol-ecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Co atom form a highly distorted square-planar arrangement, while the distorted octa-hedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water mol-ecule in the axial positions. An intra-molecular O-H⋯O hydrogen bond between the monodentate-coordinated carboxyl group and a coordinated water mol-ecule results in a six-membered ring with an envelope conformation. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 4.29 (10)° for the monodentate ligand and 2.31 (13)° for the bidentate ligand, while the two benzene rings are oriented at a dihedral angle of 65.02 (5)°. The dihedral angles between the pyridine and benzene rings are 11.21 (5)° for the monodentate ligand and 74.60 (5)° for the bidentate ligand. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular structure.

| S-EPMC2969611 | biostudies-literature

trans-Bis(dimethyl sulfoxide-κO)bis-(thio-semicarbazide-κN,S)cadmium dipicrate dihydrate.

Project description:In the cation of the title compound, [Cd(CH(5)N(3)S)(2)(C(2)H(6)OS)(2)](C(6)H(2)N(3)O(7))(2)·2H(2)O, the Cd(II) atom is located on an inversion center. It is hexa-coordinated in an octahedral fashion by two thio-semicarbazide mol-ecules, which coordinate in a bidentate manner via the S and N atoms, and to the O atom of two dimethyl sufoxide (DMSO) mol-ecules. The charges are equilibrated by two picrate anions and the complex crystallizes as a dihydrate. In the crystal, these units are linked by a number of O-H⋯O and N-H⋯S hydrogen bonds and weak C-H⋯O inter-actions, forming a three-dimensional network.

| S-EPMC3050361 | biostudies-literature

Diaqua-bis-[4-(dimethyl-amino)-benzoato-κO]bis-(nicotinamide-κN)zinc(II) dihydrate.

Project description:In the centrosymmetric title structure, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) cation, located on an inversion center, is coordinated by two 4-(methyl-amino)-benzoate anions, two nicotinamide ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.09 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.10 (4)°. The uncoordinated water mol-ecule is linked to nicotinamide ligands by O-H⋯O hydrogen bonds. In the crystal, inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. A weak N-H⋯π inter-action also occurs.

| S-EPMC3011468 | 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