Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[4,6-Dimethyl-pyrimidine-2(1H)-thione-?S]iodidobis(triphenyl-phosphane-?P)copper(I).

ABSTRACT: In the mononuclear title complex, [CuI(C(6)H(8)N(2)S)(C(18)H(15)P)(2)], the Cu(I) ion is in a slightly distorted tetra-hedral coordination geometry formed by two P atoms from two triphenyl-phosphane ligands, one S atom from a 4,6-dimethyl-pyrimidine-2(1H)-thione ligand and one iodide ion. There is an intra-molecular N-H?I hydrogen bond. In the crystal, ?-? stacking inter-actions [centroid-centroid distance = 3.594?(1)?Å] are observed.

SUBMITTER: Pakawatchai C

PROVIDER: S-EPMC3379106 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

[4,6-Dimethyl-pyrimidine-2(1H)-thione-κS]iodidobis(triphenyl-phosphane-κP)copper(I).

Pakawatchai Chaveng C Wattanakanjana Yupa Y Choto Patcharanan P Nimthong Ruthairat R

Acta crystallographica. Section E, Structure reports online 20120516 Pt 6

In the mononuclear title complex, [CuI(C(6)H(8)N(2)S)(C(18)H(15)P)(2)], the Cu(I) ion is in a slightly distorted tetra-hedral coordination geometry formed by two P atoms from two triphenyl-phosphane ligands, one S atom from a 4,6-dimethyl-pyrimidine-2(1H)-thione ligand and one iodide ion. There is an intra-molecular N-H⋯I hydrogen bond. In the crystal, π-π stacking inter-actions [centroid-centroid distance = 3.594 (1) Å] are observed. ...[more]

PMID: 22719327

Similar Datasets

Chlorido[1H-1,2,4-triazole-5(4H)-thione-?S]bis-(triphenyl-phosphane-?P)copper(I) acetronitrile monosolvate.

Project description:In the title solvate, [CuCl(C2H3N3S)(C18H15P)2]·CH3CN, the Cu(I) ion is bonded to two triphenyl-phosphane ligands, one 1H-1,2,4-triazole-5(4H)-thione ligand via its S atom and one chloride ion in a distorted CuP2SCl tetra-hedron. An intra-molecular N-H?Cl hydrogen bond, which closes an S(6) ring, helps to establish the conformation of the complex. In the crystal, N-H?Cl hydrogen bonds and C-H?? inter-actions link the components, generating (110) layers.

| S-EPMC3588355 | biostudies-literature

Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-?S]bis-(triphenyl-phosphane-?P)copper(I) methanol monosolvate.

Project description:In the title compound, [CuI(C(8)H(8)N(2)S)(C(18)H(15)P)(2)]·CH(3)OH, the coordination environment around the Cu(I) atom is distorted tetra-hedral, defined by two P atoms of two triphenyl-phosphane ligands, one S atom of a 5-methyl-1H-benzimidazole-2(3H)-thione ligand and one I atom. The complex mol-ecules and the methanol solvent mol-ecules are connected via N-H?O and O-H?I hydrogen bonds, forming a chain along [010]. An intra-molecular N-H?I hydrogen bond is also observed.

| S-EPMC3470167 | biostudies-literature

2-(1H-Imidazol-1-yl)-4,6-dimethyl-pyrimidine.

Project description:The asymmetric unit of the title compound, C(9)H(10)N(4), consists of two mol-ecules in which the dihedral angles between the planes of the imidazole and pyrimidine rings are 4.8?(1) and 2.1?(1)°.

| S-EPMC3247496 | biostudies-literature

Chlorido(1H-imidazole-?N)bis-(triphenyl-phosphane-?P)copper(I).

Project description:In the title complex, [CuCl(C(3)H(4)N(2))(C(18)H(15)P)(2)], the coordination geometry around Cu(I) is distorted tetra-hedral formed by two triphenyl-phosphane ligands, an imidazole ligand and a chloride group. An intra-molecular C-H?Cl inter-action occurs. The crystal packing is stabilized by inter-molecular N-H?Cl hydrogen bonds, which form an extended chain parallel to [010].

| S-EPMC3120300 | biostudies-literature

4,6-Dihy-droxy-4,6-dimethyl-1,3-diazinane-2-thione.

Project description:In the title compound, C(6)H(12)N(2)O(2)S, the heterocyclic ring has a sofa conformation. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen-bond inter-action with graph-set motif S(6). In the crystal, mol-ecules are linked by O-H⋯S, N-H⋯S and N-H⋯O hydrogen-bond inter-actions, forming an extended two-dimensional framework parallel to the ac plane.

| S-EPMC3200700 | biostudies-literature

2-Iodo-4,6-dimethyl-pyrimidine.

Project description:In the title compound, C(6)H(7)IN(2), the non-H atoms of the mol-ecule are located on a crystallographic mirror plane; the H atoms of the methyl groups are therefore disordered over two positions of equal occupancy. In the crystal structure, short inter-molecular I?N contacts [3.390?(3)?Å] are found, linking the mol-ecules into zigzag chains. In addition, there are inter-molecular ?-? stacking inter-actions between the pyrimidine rings of adjacent mol-ecules [centroid-centroid distance = 3.5168?(10)?Å], resulting in a two-dimensional supra-molecular architecture.

| S-EPMC2983557 | biostudies-literature

Bis(?-4,6-dimethyl-pyrimidine-2-thiol-ato)-?(3) N,S:S;?(3) S:N,S-bis-[(triphenyl-phosphane-?P)silver(I)].

Project description:The dinuclear title complex, [Ag2(C6H7N2S)2(C18H15P)2], comprises two inversion-related [Ag(C6H7N2S)(C18H15P)] units. The pyrimidine-thiol-ate anion acts both as a bridging and a chelating ligand. The Ag(I) ions are linked via two ?2-S donor atoms, which generate a strictly planar Ag2S2 core with an Ag?Ag separation of 2.9569?(4)?Å. The Ag(I) ion presents a distorted tetra-hedral coordination geometry. In the crystal, weak C-H?N and C-H?S hydrogen bonds link the complex mol-ecules into a two-dimensional network parallel to (010).

| S-EPMC3588805 | biostudies-other

Di-?-bromido-bis-({2-[(4,6-dimethyl-pyrimidin-2-yl)disulfan-yl]-4,6-dimethyl-pyrimidine-?(2)N(1),S(2)}copper(I)).

Project description:The title dinuclear complex, [Cu(2)Br(2)(C(12)H(14)N(4)S(2))(2)], is located about an inversion center. The Cu(I) ion is coordinated in a distorted tetra-hedral geometry by two bridging Br atoms in addition to an N and an S atom from the 2-[(4,6-dimethyl-pyrimidin-2-yl)disulfan-yl]-4,6-dimethyl-pyrimidine ligand. In the crystal, ?-? stacking inter-actions are observed with a centroid-centroid distance of 3.590?(2)?Å.

| S-EPMC3344368 | biostudies-literature

Bis(dimethyl sulfoxide)-hydridobis(triphenyl-phosphane)cobalt(I).

Project description:The title compound, [CoH(C(18)H(15)P)(2)(C(2)H(6)OS)(2)], was synthesized by the reaction of chloridotris(triphenyl-phosphane)cobalt(I), [ClCo(PPh(3))(3)], in the presence of one equivalent potassium hydridotris(pyrazol-yl)borate in dimethyl sulfoxide. The structure displays a distorted trigonal-pyramidally coordinated cobalt(I) atom, with two phosphane ligands and one DMSO ligand in the equatorial plane. The coordination is completed by one further DMSO ligand and the anionic hydride in the axial positions.

| S-EPMC3007366 | biostudies-literature

4,6-Dimethyl-2-p-tolyl-pyrimidine.

Project description:The mol-ecule of the title compound, C(13)H(14)N(2), is located on a crystallographic mirror plane. The aromatic rings make a dihedral angle of 3.4?(2)°. The H atoms of the methyl groups on the benzene ring are disordered over two positions; their site-occupation factors were fixed at 0.5. In the crystal, inter-molecular C-H?? contacts form infinite chains perpendicular to the b axis.

| S-EPMC2971259 | 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