Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dicyanidobis(N,N'-dimethythio-urea-κS)mercury(II).

ABSTRACT: In the title complex, [Hg(CN)(2)(C(3)H(8)N(2)S)(2)], the Hg(II) atom is located on a twofold rotation axis. It is four-coordinate having an irregular tetra-hedral geometry composed of two cyanide C atoms [Hg-C = 2.090 (6) Å] and two thione S atoms of N,N'-dimethyl-thio-urea (dmtu) [Hg-S = 2.7114 (9) Å]. The NC-Hg-CN bond angle of 148.83 (13)° has the greatest deviation from the ideal tetra-hedral geometry. The mol-ecular structure is stabilized by intra-molecular N-H⋯S inter-actions involving dmtu units related by the twofold symmetry. In the crystal, inter-molecular N-H⋯N(CN) hydrogen-bonding inter-actions link symmetry-related mol-ecules into a two-dimensional network in (110).

SUBMITTER: Riaz Malik M

PROVIDER: S-EPMC3008114 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dicyanidobis(N,N'-dimethythio-urea-κS)mercury(II).

Riaz Malik Muhammad M Ali Saqib S Ahmad Saeed S Altaf Muhammad M Stoeckli-Evans Helen H

Acta crystallographica. Section E, Structure reports online 20100804 Pt 9

In the title complex, [Hg(CN)(2)(C(3)H(8)N(2)S)(2)], the Hg(II) atom is located on a twofold rotation axis. It is four-coordinate having an irregular tetra-hedral geometry composed of two cyanide C atoms [Hg-C = 2.090 (6) Å] and two thione S atoms of N,N'-dimethyl-thio-urea (dmtu) [Hg-S = 2.7114 (9) Å]. The NC-Hg-CN bond angle of 148.83 (13)° has the greatest deviation from the ideal tetra-hedral geometry. The mol-ecular structure is stabilized by intra-molecular N-H⋯S inter-actions involving dm ...[more]

PMID: 21588485

Similar Datasets

(Thio-cyanato-κS)-tris-(thio-urea-κS)mercury(II) chloride.

Project description:In the title salt, [Hg(NCS)(CH4N2S)3]Cl, the Hg(2+) ion is coordinated in a severely distorted tetra-hedral manner by three thio-urea groups and one thio-cyanate anion through their S atoms. The S-Hg-S angles vary widely from 87.39 (5) to 128.02 (4)°. Weak intra-molecular N-H⋯S hydrogen bonds are observed, which form S(6) ring motifs. In the crystal, the ions are linked by N-H⋯N and weak N-H⋯Cl inter-actions, generating a three-dimensional network.

| S-EPMC3684862 | biostudies-literature

Dichloridobis(N,N'-diethyl-thio-urea-κS)mercury(II).

Project description:There are two mol-ecules in the asymmetric unit of the title compound, [HgCl(2)(C(5)H(12)N(2)S)(2)]. In both mol-ecules, the N,N'-diethyl-thio-urea ligands exhibit a cis,trans geometry around their C-N amide bonds. The shapes of the mol-ecules are, to a large extent, determined by intra-molecular N-H⋯Cl hydrogen bonds formed by the N-H groups from the cis amide groups. In one mol-ecule, these groups are involved in three-center hydrogen bonds involving both chloride ligands, whereas in the other mol-ecule only one Cl ligand takes part in intra-molecular hydrogen bonding. The coordination around the Hg atom is distorted tetra-hedral with an S(2)Cl(2) donor set. Inter-molecular hydrogen bonds between N-H groups from the trans amide units of the thio-amide ligands and the chloride ligands connect the mol-ecules into a polymeric chain extending along the c axis. One of the ethyl groups of the N,N'-diethyl-thio-urea ligands is disordered over two positions in one of the mol-ecules, with an occupancy of 0.654 (17) for the major component.

| S-EPMC3007422 | biostudies-literature

Crystal structure of bis-(thio-cyanato-κS)bis-(thio-urea-κS)mercury(II).

Project description:In the title complex, [Hg(NCS)2(CH4N2S)2], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thio-cyanate groups and two thio-urea groups. The S-Hg-S angles are 172.02 (9)° for the trans-thio-cyanate S atoms and 90.14 (5)° for the cis-thio-urea S atoms. The mol-ecular structure is stabilized by an intra-molecular N-H⋯S hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by a number of N-H⋯N and N-H⋯S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966 ▶). Rocz. Chem. 40, 547-569] with an extremely high R factor of 17.2%, and no mention of how the data were collected.

| S-EPMC4384628 | biostudies-literature

Dichloridobis(N,N,N',N'-tetra-methyl-thio-urea-κS)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

Crystal structure of di-chlorido-bis-(N,N'-di-methyl-thio-urea-κS)mercury(II).

Project description:The mol-ecular structure of the title compound, [HgCl2(C3H8N2S)2], has point group symmetry 2, with the twofold rotation axis passing through the Hg(II) atom. The latter is coordinated by two Cl atoms and two N,N'-di-methyl-thio-urea (Dmtu) ligands through their S atoms, defining a distorted tetra-hedral coordination sphere with bond angles in the range 102.47 (4)-118.32 (4)°. Intra- and inter-molecular hydrogen bonds of the type N-H⋯Cl with S(6) and R 2 (2)(12) ring motifs are present. The inter-molecular contacts make up polymeric chains extending parallel to [101].

| S-EPMC4555414 | biostudies-literature

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

Dichloridobis(thio-urea-κS)nickel(II).

Project description:The title complex, [NiCl(2)(CH(4)N(2)S)(2)], has been synthesized from the previously reported (diamino-methyl-idene)sulfonium chloride-thio-urea (3/2) salt [Zouihri (2012b ▶). Acta Cryst. E68, o257]. The Ni(II) ion is coordinated in a distorted tetra-hedral geometry by two mol-ecules of thio-urea [Ni-S = 2.3079 (7) and 2.3177 (6) Å] and two chloride anions [Ni-Cl = 2.2516 (7) and 2.2726 (7) Å]. The bond angles at the Ni atom lie between 96.69 (2) and 115.40 (3)°, while the dihedral angle between the mean planes of the two thio-urea ligands is 6.36 (15)°. The crystal structure is characterized by intra- and inter-molecular N-H⋯Cl hydrogen bonds, which lead to the formation of two-dimensional networks lying parallel to the ab plane. The networks are linked via classical N-H⋯Cl and N-H⋯S hydrogen bonds, forming a three-dimensional arrangement.

| S-EPMC3297264 | 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

Bis(acetato-κO)bis-(thio-urea-κS)cobalt(II).

Project description:The title compound, [Co(CH3COO)2(CH4N2S)2], is isotypic with the corresponding Zn(II) complex. The metal atom is in a distorted tetra-hedral coordination environment with the two S atoms from two thio-urea ligands and two O atoms from two acetate anions as the coordinating atoms. All H atoms of the thio-urea ligands are involved in N-H⋯O and N-H⋯S hydrogen bonds, leading to a three-dimensional network.

| S-EPMC3998386 | 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

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