Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(N-isopropyl-N-methyl-dithio-carbamato-?S,S')(1,10-phenanthroline-?N,N')zinc.

ABSTRACT: The Zn(II) atom in the title compound, [Zn(C(5)H(10)NS(2))(2)(C(12)H(8)N(2))], exists in a distorted cis-octa-hedral N(2)S(4) donor set defined by two chelating dithio-carbamate anions as well as a 1,10-phenanthroline ligand. Each of the ligands coordinates in a symmetric mode. The crystal packing is stabilized by weak C-H?S, C-H??(ZnS(2)C) and ?-? [ring centroid distance between centrosymmetrically related pyridyl rings = 3.5955?(13)?Å] inter-actions.

SUBMITTER: Wahab NA

PROVIDER: S-EPMC3089284 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(N-isopropyl-N-methyl-dithio-carbamato-κS,S')(1,10-phenanthroline-κN,N')zinc.

Wahab Nor Asiken Abdul NA Baba Ibrahim I Mohamed Tahir Mohamed Ibrahim MI Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

The Zn(II) atom in the title compound, [Zn(C(5)H(10)NS(2))(2)(C(12)H(8)N(2))], exists in a distorted cis-octa-hedral N(2)S(4) donor set defined by two chelating dithio-carbamate anions as well as a 1,10-phenanthroline ligand. Each of the ligands coordinates in a symmetric mode. The crystal packing is stabilized by weak C-H⋯S, C-H⋯π(ZnS(2)C) and π-π [ring centroid distance between centrosymmetrically related pyridyl rings = 3.5955 (13) Å] inter-actions. ...[more]

PMID: 21754288

Similar Datasets

Bis(N-sec-butyl-N-n-propyl-dithio-carbamato-κS,S')(1,10-phenanthroline-κN,N')zinc(II).

Project description:Two independent but very similar mol-ecules comprise the asymmetric unit of the title compound, [Zn(C(8)H(16)NS(2))(2)(C(12)H(8)N(2))]. The N(2)S(4) donor set about Zn is defined by two symmetrically chelating dithio-carbamate ligands and a 1,10-phenanthroline ligand. Distortions from the ideal octa-hedral coordination geometry arise from the restricted bite angles of the ligands. The main feature of the crystal packing is the formation of tetra-meric supra-molecular aggregates mediated by C-H⋯S inter-actions. Disorder was found in each of the sec-butyl groups. This was resolved over two positions in each case with the major components of the disorder having site occupancies in the range 0.551 (6)-0.725 (5).

| S-EPMC3008025 | biostudies-literature

(2,2'-Bipyridine-?N,N')bis-(N-isopropyl-N-methyl-dithio-carbamato-?S,S')cadmium.

Project description:The Cd(II) atom in the title compound, [Cd(C(5)H(10)NS(2))(2)(C(10)H(8)N(2))], exists in an N(2)S(4) donor set defined by two chelating dithio-carbamate anions as well as a 2,2'-bipyridine ligand. The coordination geometry approximates a trigonal prism. The crystal packing features weak C-H?S inter-actions, leading to linear supra-molecular chains along the a axis. The primary connections between these are by ?-? stacking inter-actions [ring centroid distance between centrosymmetrically related pyridyl rings = 3.7455?(10)?Å]. Overall, the crystal structure may be described as comprising double layers of mol-ecules that stack along the b axis.

| S-EPMC3089361 | biostudies-literature

Di-tert-butyl-bis(N-isopropyl-N-methyl-dithio-carbamato-κS,S')tin(IV).

Project description:The dithio-carbamate anions in the title compound, [Sn(C(4)H(9))(2)(C(5)H(10)NS(2))(2)], chelate to the Sn(IV) atom, which is six-coordinated in a skew-trapezoidal-bipyramidal geometry. The mol-ecule lies across a twofold rotation axis. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.82 (1):0.18 (1).

| S-EPMC2983955 | biostudies-literature

Bis(N,N-diethyl-dithio-carbamato)(1,10-phenanthroline)cobalt(III) tetra-fluorido-borate.

Project description:The cationic complex in the structure of the title compound, [Co(Et(2)NCS(2))(2)(C(12)H(8)N(2))]BF(4), has a Co(III) atom with a distorted octa-hedral coordination formed by four S atoms of two diethyl-dithio-carbamate and two N atoms of 1,10-phenanthroline ligands. The crystal structure features head-to-tail stacking of the phenanthroline ligands. The tetra-fluorido-borate anions are positioned in the channels between the cation stacks running along the a axis, and form weak C-H?F interactions.

| S-EPMC2961857 | biostudies-other

Bis(N-isopropyl-N-methyl-dithio-carbamato-?S,S')diphenyl-tin(IV).

Project description:The dithio-carbamate anions in the title compound, [Sn(C(6)H(5))(2)(C(5)H(10)NS(2))(2)], chelate to the Sn(IV) atom, which is six-coordinated in a skew-trapezoidal-bipyramidal geometry. The mol-ecule lies across a twofold rotation axis.

| S-EPMC2983838 | biostudies-other

(2,2'-Bipyridine-κN,N')bis-(N-ethyl-N-methyl-dithio-carbamato-κS,S')zinc(II).

Project description:The complete mol-ecule of the title compound, [Zn(C(4)H(8)NS(2))(2)(C(10)H(8)N(2))], is generated by crystallographic twofold symmetry, with the Zn atom lying on the rotation axis; the axis also bis-ects the central C-C bond of the 2,2'-bipyridine mol-ecule. The metal atom is chelated by two S,S'-bidentate dithio-carbamate anions and the N,N'-bidentate heterocycle, resulting in a distorted cis-ZnN(2)S(4) octa-hedral geometry. The methyl and ethyl groups of the anion are statistically disordered.

| S-EPMC2979959 | biostudies-literature

Tris(N-benzyl-N-methyl-dithio-carbamato-?S,S')(1,10-phenanthroline-?N,N')europium(III).

Project description:In the title compound, [Eu(C(9)H(10)NS(2))(3)(C(12)H(8)N(2))], the Eu(III) atom exists in a distorted square-anti-prismatic coordination geometry. Both dithio-carbamate and the N-heterocyclic ligands function in a chelating mode.

| S-EPMC2971428 | biostudies-other

Bis(μ-N-benzyl-N-methyl-dithio-carbamato)-1:2κS,S':S';1:2κS:S,S'-bis-[bis-(N-benzyl-N-methyl-dithio-carbamato-κS,S')thallium(III)].

Project description:The molecule of the dinuclear title compound, [Tl(2)(C(9)H(10)NS(2))(6)], possesses a crystallographically imposed centre of symmetry. Each Tl(III) atom is seven-coordinated by S atoms of four different dithio-carbamate anions in a distorted penta-gonal-bipyramidal coordination geometry. The crystal structure is stabilized by a C-H⋯S hydrogen-bond inter-action linking complex mol-ecules into chains running parallel to the b axis. Intramolecular C-H⋯S hydrogen bonds are also present.

| S-EPMC2961943 | biostudies-literature

Bis(μ-N-benzyl-N-tetra-decyl-dithio-carbamato-κS:S')bis-[(N-benzyl-N-tetra-decyl-dithio-carbamato-κS,S')zinc(II)].

Project description:In the title compound, [Zn(2)(C(22)H(36)NS(2))(4)], two bidentate dithio-carbamate groups chelate directly to the Zn(II) atoms, whereas the two remaining dithio-carbamate ligands bridge the Zn atoms via a crystallographic inversion centre. The Zn atoms show a strongly distorted tetra-hedral geometry. Adding the long S⋯S distance with the inversion centre being in the middle, the resulting five-coordinate geometry around the Zn atoms can be considered to be between distorted recta-ngular pyramidal and trigonal bipyramidal, with a calculated τ value of 0.31. In this dimer complex, two inversion-related tetra-decyl carbon chains exhibit all-trans conformations, and the other two chains show a cis conformation at the end of the chains.

| S-EPMC2969063 | biostudies-literature

Bis(N-isobutyl-N-propyl-dithio-carbamato-?S,S')zinc(II).

Project description:In the title compound, [Zn(C(8)H(16)NS(2))(2)], the Zn(II) atom is chelated by two S,S'-bidentate dithio-carbamate ions in a very distorted tetra-hedral geometry. The alkyl chains of the ligands are equally disordered over two sets of sites.

| S-EPMC2979964 | 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