Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of (1,3-di-methyl-thio-urea-?S)tris-(tri-phenyl-phosphane-?P)silver(I) acetate.

ABSTRACT: In the mononuclear title salt, [Ag(C3H8N2S)(C18H15P)3](CH3COO), the Ag(I) ion exhibits a distorted tetra-hedral coordination sphere defined by three P atoms from three tri-phenyl-phosphane ligands and one S atom from a 1,3-di--methyl-thio-urea ligand. In the crystal, the acetate anion is linked with the complex cation via duplex N-H?O hydrogen bonds [graph-set motif R (2) 2(8)].

SUBMITTER: Wattanakanjana Y

PROVIDER: S-EPMC4186141 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of (1,3-di-methyl-thio-urea-κS)tris-(tri-phenyl-phosphane-κP)silver(I) acetate.

Wattanakanjana Yupa Y Nimthong Arunpatcha A Darasuriyong Chanokphat C

Acta crystallographica. Section E, Structure reports online 20140830 Pt 9

In the mononuclear title salt, [Ag(C3H8N2S)(C18H15P)3](CH3COO), the Ag(I) ion exhibits a distorted tetra-hedral coordination sphere defined by three P atoms from three tri-phenyl-phosphane ligands and one S atom from a 1,3-di--methyl-thio-urea ligand. In the crystal, the acetate anion is linked with the complex cation via duplex N-H⋯O hydrogen bonds [graph-set motif R (2) 2(8)]. ...[more]

PMID: 25309189

Similar Datasets

Crystal structure of (benzene-carbo-thio-amide-κS)chloridobis-(tri-phenyl-phosphane-κP)silver(I).

Project description:In the mononuclear mixed-ligand title complex, [AgCl(C7H7NS)(C18H15P)2], the Ag(I) ion is four coordinated by one S atom of a benzene-carbo-thio-amide ligand, two P atoms of two tri-phenyl-phosphane ligands and one chloride ion, displaying a distorted tetra-hedral coordination geometry. In the crystal, pairs of N-H⋯Cl hydrogen bonds form inversion dimers. An intra-molecular N-H⋯Cl hydrogen bond is also observed.

| S-EPMC4186092 | biostudies-literature

(anti-Chlorido-thio-semicabazide-κS)bis-(tri-phenyl-phosphane-κP)copper(I) 0.48-hydrate.

Project description:In the mononuclear title complex, [CuCl(CH5N3S)(C18H15P)2]·0.48H2O, the Cu(I) ion is in a slightly distorted tetra-hedral coordination geometry formed by two P atoms from two tri-phenyl-phosphane ligands, one S atom from a thio-semicarbazide ligand and one chloride anion. An intra-molecular N-H⋯N hydrogen bond [graph-set motif S(5)] stabilizes the thio-semicarbazide ligand in its anti conformation, and an intra-molecular N-H⋯Cl hydrogen bond between the hydrazine N-H group and the chloride anion influences the arrangement and orientation of the ligands around the metal center. A weak intra-molecular C-H⋯Cl hydrogen bond is also present. In the crystal, complex mol-ecules are connected through N-H⋯Cl hydrogen bonds originating from the amide -NH2 group, and through O-H⋯S and O-H⋯Cl hydrogen bonds involving the solvent water mol-ecule. Both the direct N-H⋯Cl hydrogen bonds as well as the bridging hydrogen bonds mediated by the water mol-ecule connect the complex mol-ecules into zigzag chains that propagate along [010]. The solvent water mol-ecule is partially occupied, with a refined occupancy of 0.479 (7).

| S-EPMC3647795 | biostudies-literature

(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

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

Crystal structure of bis-[(acetato-κO)(imidazolidine-2-thione-κS)bis-(tri-phenyl-phosphane-κP)silver(I)] di-μ-imidazol-idine-2-thione-κ(4) S:S-bis-[(imidazol-id-ine-2-thione-κS)bis-(tri-phenyl-phosphane-κP)silver(I)] di-acetate aceto-nitrile disolvate tetra-hydrate.

Project description:In the title compound, [Ag2(C3H6N2S)4(C18H15P)2](C2H3O2)2·[Ag(C2H3O2)(C3H6N2S)(C18H15P)2]2·2C2H3N·4H2O, the Ag(I) ion in the mononuclear neutral complex exhibits a distorted tetra-hedral environment with coordination by two P atoms from tri-phenyl-phosphane (PPh3) ligands, one S atom of an imidazolidine-2-thione (etu) ligand and one O atom of an acetate anion. The binuclear cationic complex comprises two inversion-related [Ag(C3H6N2S)2(C18H15P)] units with Ag(I) ions bridged by two S atoms from etu ligands forming a four-membered Ag-S-Ag-S ring. Each Ag(I) ion is coordinated by a P atom of a PPh3 ligand, two S atoms of bridging etu ligands and the terminal S atom of an etu ligand in a distorted tetra-hedral environment. In the crystal, the mononuclear complex is linked to lattice water mol-ecules through O-H⋯O and N-H⋯O hydrogen bonds, forming a chain along [100]. In addition, the binuclear complex mol-ecules are connected to acetate anions and lattice water mol-ecules via O-H⋯O, N-H⋯O and O-H⋯S hydrogen bonds, also along [100].

| S-EPMC4910330 | biostudies-literature

[1H-1,2,4-Triazole-5(4H)-thione-κS]bis-(tri-phenyl-phosphane-κP)(nitrato-κO)silver(I) methanol monosolvate.

Project description:In the title complex, [Ag(NO3)(C2H3N3S)(C18H15P)2]·CH3OH, the Ag(I) ion exhibits a distorted tetra-hedral coordination geometry formed by two P atoms from two tri-phenyl-phosphine ligands, one S atom from a 1H-1,2,4-triazole-5(4H)-thione ligand and one O atom from a nitrate ion. In the crystal, complex and solvent mol-ecules are linked by O-H⋯O and N-H⋯O hydrogen bonds forming a chain along the b-axis direction. The chains are linked by weak C-H⋯O hydrogen bonds forming a two-dimensional supra-molecular architecture parallel to (001). In addition, an intra-molecular N-H⋯O hydrogen bond is observed.

| S-EPMC3998265 | 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

(Ferrocenyl-thio-phospho-nato-κS)(triphenyl-phosphane-κP)gold(I) dichloro-methane monosolvate.

Project description:In the title compound, [AuFe(C(5)H(5))(C(5)H(5)O(2)PS)(C(18)H(15)P)]·CH(2)Cl(2), the two-coordinate gold(I) atom shows a slightly distorted linear arrangement, with a P-Au-S bond angle of 176.81 (6)°. The difference in P=O and P-O(H) bond lengths, which are 1.503 (6) and 1.541 (5) Å, respectively, implies there is apparently no delocalization between the P-O bonds, and the proton appears to be localized on one O atom only. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link dinuclear mol-ecules into chains propagated in the [010] direction. The dichloro-methane solvent mol-ecule was disordered between two positions in a 0.63 (3):0.37 (3) ratio.

| S-EPMC3008988 | biostudies-literature

Crystal structure and Hirshfeld-surface analysis of (benzene-carbo-thio-amide-κS)bromido-bis-(tri-phenylphosphane-κP)silver(I).

Project description:The title complex, [AgBr(C7H7NS)(C18H15P)2], was obtained from the reaction of silver(I) bromide with benzene-carbo-thio-amide (C7H7NS) and tri-phenyl-phosphane (C18H15P) in the mixed solvent of aceto-nitrile and ethanol. The mononuclear complex exhibits a distorted tetra-hedral coordination geometry about the metal atom, arising from one S atom of a benzene-carbo-thio-amide ligand, two P atoms of two tri-phenyl-phosphane mol-ecules and one bromide ion. An intra-molecular N-H⋯Br hydrogen bond is observed and in the crystal structure, inversion dimers linked by pairs of N-H⋯Br and C-H⋯Br hydrogen bonds are observed. In addition, C-H⋯π inter-actions occur, leading to [101] chains. Hirshfeld-surface analyses are presented and discussed.

| S-EPMC4992921 | biostudies-literature

(N,N'-Di-ethyl-thio-urea-?S)tris-(triphenylphosphane-?P)silver(I) acetate methanol monosolvate.

Project description:In the mononuclear title complex, [Ag(C5H12N2S)(C18H15P)3](CH3COO)·CH3OH, the Ag(I) ion is in a distorted tetra-hedral coordination geometry formed by three P atoms from three tri-phenyl-phosphane ligands and one S atom from an N,N'-di-ethyl-thio-urea ligand. In the crystal, the acetate anion is connected to the complex mol-ecule via a pair of N-H?O hydrogen bonds [graph-set motif R (2) 2(8)] and the solvent methanol mol-ecule is connected to the anion via an O-H?O hydrogen bond. This aggregate is further connected through a weak C-H?O hydrogen bond, forming a chain along [100]. In addition, sixfold phenyl embraces with inter-molecular distances of 6.6463?(13)-6.667?(2)?Å are arranged in a chain along [001]. The combination of hydrogen bonding and phen-yl?phenyl inter-actions leads to the formation of a two-dimensional network parallel to (010).

| S-EPMC4051053 | 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