Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Redetermination of catena-poly[[chlorido-(thio-urea-?S)copper(I)]-?-thio-urea-?S:S] at 100?K.

ABSTRACT: The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ?). Acta Cryst. B26, 1474-1483] is generally confirmed to higher precision [typical Cu-S bond length s.u. values = 0.005 (old) and 0.001?Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two bridging S atoms of thio-urea ligands. This connectivity leads to polymeric [100] chains in the crystal. If very long contacts to nearby chloride ions [2.8687?(9) and 3.1394?(12)?Å] are considered to be bonding, then very distorted CuS(3)Cl tetra-hedral coordination polyhedra arise. The crystal structure is consolidated by weak intra- and inter-chain N-H?S and N-H?Cl hydrogen bonds.

SUBMITTER: Zouihri H

PROVIDER: S-EPMC3297225 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Redetermination of catena-poly[[chlorido-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] at 100 K.

Zouihri Hafid H

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ▶). Acta Cryst. B26, 1474-1483] is generally confirmed to higher precision [typical Cu-S bond length s.u. values = 0.005 (old) and 0.001 Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two br ...[more]

PMID: 22412415

Similar Datasets

catena-Poly[[[bis-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] iodide acetonitrile hemisolvate].

Project description:The title complex, {[Cu(CH(4)N(2)S)(3)]I·0.5CH(3)CN}(n), was formed by the reaction of CuI and thio-urea in acetonitrile. There are two independent Cu(I) ions in the asymmetric unit which are coordinated by two terminal and two bridging thio-urea ligands to form a one-dimensional helical chain structure progagating in the a-axis direction. Each Cu(I) ion is in a distorted tetra-hedral coordination environment. The crystal structure is stabilized by weak N-H⋯S and N-H⋯I hydrogen bonds.

| S-EPMC2960929 | biostudies-literature

catena-Poly[[bis-(thio-cyanato-?N)cobalt(II)]-di-?-thio-urea-?(4)S:S].

Project description:In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a ?(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H?N hydrogen bonds, which generate S(6) ring motifs. The crystal packing is stabilized by N-H?S inter-actions, which connect the chains into a three-dimensional architecture.

| S-EPMC3414167 | biostudies-literature

Poly[[μ(3)-chlorido-bis(μ(2)-thio-urea-κS)disilver(I)] nitrate].

Project description:The mol-ecular structure of the title polymeric complex, {[Ag(2)Cl(CH(4)N(2)S)(2)]NO(3)}(n), consists of a binuclear cationic complex and a nitrate counter-ion. The cationic complex contains two bridging thio-urea (Tu) ligands and a triply bridging μ(3)-Cl anion. The latter is probably released from 2-amino-ethane-thiol hydro-chloride during the synthesis. The coordination environment around the two Ag(I) atoms is different; one is trigonal planar, being coordinated by two thio-urea ligands through the S atoms and to one Cl(-) ion, while in the other the Ag(I) atom is tetra-hedrally coordinated by two thio-urea ligands through the S atoms and to two Cl(-) ions. These units aggregate through the Cl(-) anion and the Tu S atoms, forming a chain propagating in [100]. In the crystal structure, the polymeric chains are linked via N-H⋯O and N-H⋯Cl hydrogen bonds, forming a double layer two-dimensional network propagating in (011).

| S-EPMC3008121 | biostudies-literature

catena-Poly[[aqua-glycolatocopper(II)]-?-chlorido].

Project description:In the crystal structure of the title compound, [Cu(C(2)H(3)O(3))Cl(H(2)O)](n), the Cu(II) ion is five-coordinate in a distorted square-pyramidal geometry. Two O atoms from a chelating glycolate anion, an O atom from a coordinated water mol-ecule and a chloride anion comprise the basal plane. A chloride ion from a neighbouring unit occupies the apical position and these Cu-Cl-Cu bridges link the aqua-glycolatocopper(II) units into one-dimensional chains along the [001] direction. These chains are connected by O-H?O and O-H?Cl hydrogen bonds, forming an infinite three-dimensional polymeric network.

| S-EPMC2961558 | biostudies-literature

catena-Poly[[(1,10-phenanthroline-κN,N')copper(I)]-μ-thio-cyanato-κN:S].

Project description:In the title complex, [Cu(NCS)(C(12)H(8)N(2))](n), the Cu(I) ion is in a distorted tetra-hedral CuN(3)S coordination geometry. The thio-cyanate ligand acts as bridging ligand, forming chains along [100]. A crystallographic mirror plane runs through the Cu(I) ion, the thio-cyanate ligand and the middle of the phenanthroline ligand.

| S-EPMC2983214 | biostudies-literature

Crystal structure of catena-poly[[chlorido-(4,4'-dimethyl-2,2'-bi-pyridine-κ(2) N,N')copper(II)]-μ-chlorido].

Project description:The title compound, [CuCl2(C12H12N2)] n , was obtained via a DMSO-mediated dehydration of Cu(4,4'-dimethyl-2,2'-bi-pyridine)-copper(II)·0.25H2O. The central Cu(II) atom is coordinated in a distorted trigonal-bipyramidal geometry by two N atoms of a chelating 4,4'-dimethyl-2,2'-bi-pyridine ligand [average Cu-N = 2.03 (3) Å] and three Cl atoms, one terminal with a short Cu-Cl bond of 2.2506 (10) Å, and two symmetry-equivalent and bridging bonds. The bridging Cl atom links the Cu(II) ions into chains parallel to [001] via one medium and one long Cu-Cl bond [2.3320 (10) and 2.5623 (9) Å]. The structure displays both inter- and intra-molecular C-H⋯Cl hydrogen bonding.

| S-EPMC4459376 | biostudies-literature

catena-Poly[[chlorido(methyl phenyl sulfide-?S)mercury(II)]-?-chlorido].

Project description:The title compound, [HgCl(2)(C(7)H(8)S)](n), was isolated from the reaction of MeSPh with HgCl(2). The Hg(II) atom has a distorted tetra-hedral geometry and is coordinated by one S atom and three Cl atoms. Two of the Cl atoms act as bridging ligands between the Hg atoms, forming a two-dimensional polymeric structure.

| S-EPMC2961523 | biostudies-literature

Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea.

Project description:The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ?). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intramolecular and intermolecular inter-actions. The thio-urea group is in the thio-amide form. The thio-urea group makes a dihedral angle of 29.2?(6)° with the furoyl group. In the crystal structure, mol-ecules are linked by inter-molecular C-H?O inter-actions, forming one-dimensional chains along the a axis. An intra-molecular N-H?O hydrogen bond is also present.

| S-EPMC2968693 | biostudies-literature

Hexa-kis-(thio-urea-?S)nickel(II) nitrate: a redetermination.

Project description:A preliminary X-ray study of the title mol-ecular salt, [Ni(CH(4)N(2)S)(6)](NO(3))(2), has been reported twice previously, by Ma?ar [Acta Cryst. (1961), 14, 894] and Rodriguez, Cubero, Vega, Morente & Vazquez [Acta Cryst. (1961), 14, 1101], using film methods. We confirm the previous studies, but to modern standards of precision and with all H atoms located. The central Ni atom (site symmetry ) of the dication is octa-hedrally coordinated by six S-bound thio-urea mol-ecules. The crystal structure is stabilized by intra- and inter-molecular N-H?S and N-H?O hydrogen bonds.

| S-EPMC3007420 | biostudies-literature

catena-Poly[(dichloridocadmium)-di-?-chlorido-[bis-(morpholinium-?O)cadmium]-di-?-chlorido].

Project description:In the title compound, [Cd(2)Cl(6)(C(4)H(10)NO)(2)](n), the coordination geometry of each Cd(II) ion is distorted octa-hedral, but with quite different coordination environments. One Cd(II) atom is coordinated by four Cl atoms and two O atoms from two morpholinium ligands, while the other is coordinated by six Cl atoms. Adjacent Cd(II) atoms are inter-connected alternately by paired chloride bridges, generating a chain parallel to the a axis. Inter-chain N-H?Cl inter-actions form a two-dimensional network.

| S-EPMC3212201 | 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