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

ABSTRACT: 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.

SUBMITTER: Nawaz S

PROVIDER: S-EPMC3007291 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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

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

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

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. ...[more]

PMID: 21588182

Similar Datasets

Dichloridobis(N,N'-diethyl-thio-urea-?S)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

Dichloridobis(thio-urea-?S)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

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

Project description: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.

| S-EPMC3007332 | 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

Crystal structure of bis-(tetra-methyl-thio-urea-?S)bis(thio-cyanato-?N)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

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-?S)cadmium(II) triaqua-tris(thio-urea-?S)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

Crystal structure of bis-(thio-cyanato-?S)bis-(thio-urea-?S)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[1-(2-methyl-benzimidazol-1-ylmethyl-?N)benzotriazole]mercury(II).

Project description:In the title compound, [HgCl(2)(C(15)H(13)N(5))(2)], the Hg(II) atom is located on a twofold rotation axis and resides in a distorted tetra-hedral coordination environment composed of two Cl atoms and two N atoms from two 1-(2-methyl-benzimidazol-1-ylmeth-yl)benzotriazole ligands.

| S-EPMC2969412 | biostudies-literature

(Tetra-oxidoselenato-?O)tris-(thio-urea-?S)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

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