Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dibromidobis(N,N,N',N'-tetra-methyl-thio-urea-?S)cadmium(II).

ABSTRACT: In the title compound, [CdBr(2)(C(5)H(12)N(2)S)(2)], the Cd(II) atom lies on a twofold rotation axis. It exhibits a distorted tetra-hedral coordination environment defined by two S atoms of two tetra-methyl-thio-urea (tmtu) ligands and two bromide ions. The crystal structure is consolidated by C-H?N and C-H?S hydrogen bonds.

SUBMITTER: Nawaz S

PROVIDER: S-EPMC3007332 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dibromidobis(N,N,N',N'-tetra-methyl-thio-urea-κS)cadmium(II).

Nawaz Sidra S Sadaf Sana S Fettouhi Mohammed M Fazal Atif A Ahmad Saeed S

Acta crystallographica. Section E, Structure reports online 20100717 Pt 8

In the title compound, [CdBr(2)(C(5)H(12)N(2)S)(2)], the Cd(II) atom lies on a twofold rotation axis. It exhibits a distorted tetra-hedral coordination environment defined by two S atoms of two tetra-methyl-thio-urea (tmtu) ligands and two bromide ions. The crystal structure is consolidated by C-H⋯N and C-H⋯S hydrogen bonds. ...[more]

PMID: 21588180

Similar Datasets

Tetra-aqua-bis-(thio-urea-κS)cadmium(II) triaqua-tris(thio-urea-κS)cadmium(II) disulfate.

Project description:The title compound, [Cd(CH(4)N(2)S)(2)(H(2)O)(4)][Cd(CH(4)N(2)S)(3)(H(2)O)(3)](SO(4))(2), contains two mol-ecules of each of the Cd complexes and four sulfate ions in the asymmetric unit: all the Cd atoms exhibit distorted octa-hedral geometries. The Cd-S and Cd-O bond lengths around the Cd atoms in the bis-(thio-urea) cations are in the ranges 2.580 (4)-2.599 (4) and 2.323 (8)-2.421 (9) Å, respectively, and the S atoms are in a cis orientation. In the tris-(thio-urea) cations, the corresponding bond lengths around the Cd atoms are slightly longer and are in the ranges 2.559 (4)-2.706 (3) and 2.303 (7)-2.480 (10) Å, respectively, and the S atoms are in a fac disposition. The crystal structure features numerous N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds. Two O atoms of a sulfate anion were found to be disordered over two orientations in a 0.620 (9):0.380 (9) ratio. The crystal studied was a racemic twin with BASF = 0.17 (5).

| S-EPMC3393206 | biostudies-literature

Diiodidobis(N,N,N',N'-tetra-methyl-thio-urea-?S)cadmium(II).

Project description:In the title compound, [CdI(2)(C(5)H(12)N(2)S)(2)], the Cd(II) ion is located on a twofold rotation axis and is coordinated in a distorted tetra-hedral mode by two iodide ions and by two tetra-methyl-thio-urea (tmtu) ligands through their S atoms. The crystal structure is stabilized by C-H?N and C-H?S hydrogen bonds.

| S-EPMC3007464 | biostudies-literature

Dichloridobis(N,N,N',N'-tetra-methyl-thio-urea-?S)mercury(II).

Project description:In the title compound, [HgCl(2)(C(5)H(12)N(2)S)(2)], the Hg(II) atom is located on a twofold rotation axis and is bonded in a distorted tetra-hedral coordination mode to two chloride ions and to two tetra-methyl-thio-urea (tmtu) mol-ecules through their S atoms. The crystal structure is stabilized by C-H?N and C-H?S hydrogen bonds.

| S-EPMC3007291 | biostudies-literature

Dicyanidobis(thio-urea-κS)cadmium(II) monohydrate.

Project description:In the title compound, [Cd(CN)(2)(CH(4)N(2)S)(2)]·H(2)O, the Cd atom lies on a twofold rotation axis and is bonded to two S atoms of thio-urea and two C atoms of the cyanide anions in a distorted tetra-hedral environment. The crystal structure is stabilized by N-H⋯N(CN), N-H⋯O, O-H⋯N and N-H⋯S hydrogen bonds.

| S-EPMC3007584 | biostudies-literature

(Tetra-oxidoselenato-κO)tris-(thio-urea-κS)zinc(II).

Project description:The title structure, [Zn(SeO(4))(CH(4)N(2)S)(3)], is isomorphous with sulfatotris(thio-urea)zinc(II). In both structures, the Zn(2+) cation is coordinated in a tetra-hedral geometry. The corresponding intra-molecular distances are quite similar except for the Se-O and S-O distances. Although the hydrogen-bonding patterns are similar, there are some differences; in the title structure all the H atoms are involved in the hydrogen-bond pattern, in contrast to the situation in sulfatotris(thio-urea)zinc(II). No reproducible anomalies were detected by differential scanning calorimetry in the range 93-463 K until decomposition started at the higher temperature.

| S-EPMC2960388 | biostudies-literature

Crystal structure of bis-(tetra-methyl-thio-urea-κS)bis-(thio-cyanato-κN)nickel(II).

Project description:In the course of our investigations regarding transition-metal thio-cyanates with thio-urea derivatives, the title compound, [Ni(NCS)2(C5H12N2S)2], was obtained. The asymmetric unit consists of one thio-cyanate anion and one tetra-methyl-thio-urea mol-ecule on general positions, as well as one NiII cation that is located on a twofold rotational axis. In this compound, discrete complexes are formed in which the NiII cations are surrounded by two trans-N-bonding thio-cyanate anions as well as two trans-S-bonding tetra-methyl-thio-urea mol-ecules within a distorted square-planar coordination geometry. The discrete complexes are linked by pairs of weak C-H⋯S hydrogen bonds between the thio-cyanate S and one of the tetra-methyl-thio-urea methyl hydrogen atoms into chains along the crystallographic a- and c-axis directions, which are combined into layers parallel to the ac plane. X-ray powder diffraction proves that a pure crystalline phase was obtained and measurements using thermogravimetry and differential thermoanalysis reveal that the compound decomposes at about 408 K, where all tetra-methyl-thio-urea mol-ecules are lost.

| S-EPMC7784658 | biostudies-literature

Crystal structure of bis-(tetra-methyl-thio-urea-κS)bis(thio-cyanato-κN)cobalt(II).

Project description:In the course of systematic investigations on the synthesis of Co(NCS)2 coordination compounds with different thio-urea ligands, the title compound, [Co(NCS)2(C5H12N2S)2], was obtained. In this compound the CoII cations are coordinated by two crystallographically independent N-bonded thio-cyanate anions and two tetra-methyl-thio-urea ligands into discrete complexes that are located in general positions and show a strongly distorted tetra-hedral geometry. Inter-molecular C-H⋯S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C-H⋯S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intra-molecular C-H⋯S hydrogen bond between two neighbouring thio-urea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364 K and decomposes upon further heating.

| S-EPMC7405571 | biostudies-literature

Dibromidobis(1,10-phenanthroline-?N,N')cadmium(II).

Project description:The title compound, [CdBr(2)(C(12)H(8)N(2))(2)], synthesized by the hydro-thermal reaction of Cd(CH(3)COO)(2)·2H(2)O with NaBr and 1,10-phenanthroline, has the Cd(II) cation coordinated by two Br(-) anions and four N atoms from two 1,10-phenanthroline ligands in a distorted octa-hedral geometry. The crystal packing is stabilized by inter-molecular ?-? inter-actions with centroid-centroid distances 3.572?(1) and 3.671?(1)?Å together with C-H?Br hydrogen bonds.

| S-EPMC2969372 | biostudies-literature

Tetra-kis(1-ethyl-1H-imidazole-?N)bis-(thio-cyanato-?N)cadmium(II).

Project description:The structure of the title compound, [Cd(NCS)(2)(C(5)H(8)N(2))(4)], consists of isolated mol-ecules of [Cd(NCS)(2)(Eim)(4)] (Eim = 1-ethyl-imidazole), which contain a compressed octa-hedral CdN(6) chromophore. The NCS(-) anions are trans and four N atoms from the 1-ethyl-imidazole ligands define the equatorial plane. The mean Cd-N(Eim) and Cd-N(NCS) distances are 2.334?(4) and 2.379?(5)?Å, respectively. Weak C-H?N inter-actions contribute to the crystal packing stability.

| S-EPMC2983676 | biostudies-literature

1-Methyl-3-phenyl-thio-urea.

Project description:The title compound, C8H10N2S, was prepared by reaction of methyl-amine solution, KOH and phenyl-iso-thio-cyanate in ethanol. It adopts a syn-Me and anti-Ph conformation relative to the C=S double bond. The dihedral angle between the N-C(=S)-N thio-urea and phenyl planes is 67.83?(6)°. In the crystal, the mol-ecules centrosymmetrical dimers by pairs of N(Ph)-H?S hydrogen bonds. The dimers are linked by N(Me)-H?S hydrogen bonds into layers parallel to (100).

| S-EPMC4011236 | 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