Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-?-thio-semicarbazide-?S:S-bis-[bis-(thio-semicarbazide-?S)copper(I)] diiodide.

ABSTRACT: The title compound, [Cu(2){SC(NH(2))NHNH(2)}(6)]I(2), was obtained by the reaction of CuI and thio-semicarbazide (TSCZ) in acetonitrile. Each Cu(I) ion is coordinated by four S atoms of the TSCZ ligands, forming a tetra-hedral geometry. Centrosymmetric dimers are formed by two coordination tetra-hedra sharing a common edge, with a Cu?Cu distance of 2.8236?(14)?Å. The I(-) ion does not have any direct inter-action with the metal. The crystal structure is stabilized by weak N-H?N, N-H?S and N-H?I hydrogen bonds, forming a three-dimensional network structure.

SUBMITTER: Jia L

PROVIDER: S-EPMC2961471 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Di-μ-thio-semicarbazide-κS:S-bis-[bis-(thio-semicarbazide-κS)copper(I)] diiodide.

Jia Li L Ma Shou-Xin SX Li Da-Cheng DC

Acta crystallographica. Section E, Structure reports online 20080517 Pt 6

The title compound, [Cu(2){SC(NH(2))NHNH(2)}(6)]I(2), was obtained by the reaction of CuI and thio-semicarbazide (TSCZ) in acetonitrile. Each Cu(I) ion is coordinated by four S atoms of the TSCZ ligands, forming a tetra-hedral geometry. Centrosymmetric dimers are formed by two coordination tetra-hedra sharing a common edge, with a Cu⋯Cu distance of 2.8236 (14) Å. The I(-) ion does not have any direct inter-action with the metal. The crystal structure is stabilized by weak N-H⋯N, N-H⋯S and N-H⋯I ...[more]

PMID: 21202503

Similar Datasets

(Thio-cyanato-?N)bis-(thio-semicarbazide-?S)copper(I).

Project description:In the title complex, [Cu(CH(5)N(3)S)(2)(NCS)], the non-H part of the mol-ecule is strictly planar, lying on the mirror plane at y = 0.25. The Cu atom lies at the centre of a triangle formed by the coordination of three monodentate groups, viz. two thio-semicarbazide ligands and one NCS(-) anion. Weak inter-molecular N-H?S inter-actions generate a two-dimensional network.

| S-EPMC2961608 | biostudies-literature

Di-?-thio-semicarbazide-?(4)S:S-bis-[chlori-dobis(triphenyl-phosphane-?P)silver(I)].

Project description:The dinuclear title complex, [Ag(2)Cl(2)(CH(5)N(3)S)(2)(C(18)H(15)P)(2)], lies across an inversion center. The Ag(I) ion exhibits a slightly distorted tetra-hedral coordination geometry formed by a P atom from a triphenyl-phosphane ligand, two metal-bridging S atoms from thio-semicabazide ligands and one chloride ion. The S atoms bridge two symmetry-related Ag(I) ions, forming a strictly planar Ag(2)S(2) core with an Ag?Ag separation of 2.7802?(7)?Å. There is an intra-molecular N-H?Cl hydrogen bond. In the crystal, N-H?Cl and N-H?S hydrogen bonds link complex mol-ecules, forming layers parallel to (001). These layers are connected through ?-? stacking inter-actions [centroid-centroid distance = 3.665?(2)?Å], leading to the formation of a three-dimensional network.

| S-EPMC3569183 | biostudies-literature

Bis(thio-semicarbazide)nickel(II) bis-[2-(thio-semicarbazonometh-yl)benzene-sulfonate] dihydrate.

Project description:In the title compound, [Ni(CH(5)N(3)S)(2)](C(8)H(8)N(3)O(3)S(2))(2)·2H(2)O, the Ni(II) atom lies on a inversion centre and is four-coordinated by two N and two S atoms of two thio-semicarbazide ligands in an almost square-planar coordination. In the crystal structure, the molecules are linked into a three-dimensional network via C-H?O, C-H?N, N-H?O, N-H?S and O-H?O hydrogen bonds.

| S-EPMC2969405 | biostudies-literature

trans-Bis(dimethyl sulfoxide-?O)bis-(thio-semicarbazide-?N,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

1-[4-(Di-methyl-amino)-benzyl-idene]-4-o-tolyl-thio-semicarbazide.

Project description:The asymmetric unit of the title compound, C17H20N4S, contains two independent mol-ecules, the main difference between them being the dihedral angles between the benzene rings [19.99?(17) and 9.72?(17)°]. The mol-ecules both have a trans conformation about the C=N double bond and intra-molecular C-H?S and N-H?N hydrogen bonds are observed in both mol-ecules. In the crystal, mol-ecules are linked by weak N-H?S hydrogen bonds with graph-set motif R 2 (2)(8). In each mol-ecule, all but one of the N atoms and both the S atoms are involved in hydrogen bonding.

| S-EPMC3685061 | biostudies-literature

Crystal structure of [1,3-bis-(di-phenyl-phosphan-yl)propane-?(2) P,P'](N,N'-di-methyl-thio-urea-?S)(thio-cyanato-?N)copper(I).

Project description:The asymmetric unit of the title compound, [Cu(NCS)(C3H8N2S)(C27H26P2)], contains two independent mononuclear complex mol-ecules. In each, the Cu(I) ion exhibits a distorted tetra-hedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, one terminal S atom of one N,N'-di-methyl-thio-urea (dmtu) ligand and one terminal N atom of the thio-cyanato ligand. The dppp ligand is involved in a bidentate coordination mode with the Cu(I) ion, forming a six-membered CuP2C3 ring. In both mol-ecules, the coordination of the dmtu ligand is further stabilized by an intra-molecular N-H?N hydrogen bond with an S(6) graph-set motif. In the crystal, mol-ecules are linked by N-H?S hydrogen bonds forming a zigzag chain along the a-axis direction. In one independent mol-ecule, one of the phenyl rings of the dppp ligand is disordered over two sites with refined occupancies 0.639?(11):0.361?(11) and this corresponds with a mutual disorder of the dmtu ligand in the other independent mol-ecule giving the same ratio of refined occupancies. The structure was refined as a two-component inversion twin.

| S-EPMC4350702 | biostudies-literature

Di-?-chlorido-bis-{aqua-chlorido[2,2'-thio-bis(pyridine N-oxide)-?O]copper(II)}.

Project description:The crystal structure of the title compound, [Cu(2)Cl(4)(C(10)H(8)N(2)O(2)S)(2)(H(2)O)(2)], comprises neutral centrosymmetric ?-chloride-bridged dinuclear units. Each Cu(II) ion is penta-coordinated by three chloride ligands, a pyridine N-oxide O atom and a water mol-ecule. Intra- and inter-molecular O-H?O hydrogen bonds occur between the coordinated water mol-ecules and the uncoordinated and coordinated pyridine N-oxide groups of the 2,2'-thio-bis(pyridine N-oxide) ligands, respectively.

| S-EPMC2968806 | biostudies-other

(Dimethyl sulfoxide-?O)bis-(thio-semicarbazide-?N,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-?-thio-cyanato-bis-({2,4-dichloro-6-[2-(diethyl-amino)ethyl-imino-meth-yl]phenolato}copper(II)).

Project description:The title compound, [Cu(2)(NCS)(2)(C(13)H(17)Cl(2)N(2)O)(2)], was obtained by the reaction of 3,5-dichloro-salicylaldehyde, N,N-diethyl-ethane-1,2-diamine, sodium thio-cyanate, and copper(II) acetate in an ethanol solution. It crystallizes as a centrosymmetric dimer with a very long Cu?S axial bond [2.972?(3)?Å]. The Cu atom is five-coordinated by the three donor atoms of the Schiff base ligand, 2,4-dichloro-6-[(2-diethyl-amino-ethyl-imino)meth-yl]phenol, one N atom of a thio-cyanate group, and one S atom of a symmetry-related thio-cyanate group, forming a slightly distorted square-pyramidal geometry.

| S-EPMC2915145 | biostudies-literature

Crystal structure of [N,N-bis-(di-phenyl-phospho-ro-thio-yl)amidato-?2S,S']bis-(tri-phenyl-phosphane-?P)copper(I) di-chloro-methane monosolvate.

Project description:The title compound, [Cu(C24H20NP2S2)(C18H15P)2]·CH2Cl2 or [Cu(dppaS2)(PPh3)2]·CH2Cl2, is a neutral mononuclear copper(I) complex bearing an N,N-bis-(di-phenyl-phospho-rothio-yl)amidate (dppaS2-) ligand and two tri-phenyl-phosphane ligands. The molecular structure shows that the two S atoms of the dppaS2- ligand [Cu-S = 2.3462?(9) and 2.3484?(9)?Å] and the two P atoms of the two tri-phenyl-phosphane ligands [Cu-P = 2.3167?(9) and 2.2969?(9)?Å] coordinate to the copper(I) atom, resulting in a tetra-hedral coordination geometry. The crystallographically observed mol-ecular structure is compared to the results of DFT calculations.

| S-EPMC5598827 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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