Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-kis(1-ethyl-1H-imidazole-?N)bis-(thio-cyanato-?N)cadmium(II).

ABSTRACT: The structure of the title compound, [Cd(NCS)(2)(C(5)H(8)N(2))(4)], consists of isolated mol-ecules of [Cd(NCS)(2)(Eim)(4)] (Eim = 1-ethyl-imidazole), which contain a compressed octa-hedral CdN(6) chromophore. The NCS(-) anions are trans and four N atoms from the 1-ethyl-imidazole ligands define the equatorial plane. The mean Cd-N(Eim) and Cd-N(NCS) distances are 2.334?(4) and 2.379?(5)?Å, respectively. Weak C-H?N inter-actions contribute to the crystal packing stability.

SUBMITTER: Li RX

PROVIDER: S-EPMC2983676 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-kis(1-ethyl-1H-imidazole-κN)bis-(thio-cyanato-κN)cadmium(II).

Li Rong-Xun RX Wu Qi-Ye QY Liu Fa-Qian FQ

Acta crystallographica. Section E, Structure reports online 20100213 Pt 3

The structure of the title compound, [Cd(NCS)(2)(C(5)H(8)N(2))(4)], consists of isolated mol-ecules of [Cd(NCS)(2)(Eim)(4)] (Eim = 1-ethyl-imidazole), which contain a compressed octa-hedral CdN(6) chromophore. The NCS(-) anions are trans and four N atoms from the 1-ethyl-imidazole ligands define the equatorial plane. The mean Cd-N(Eim) and Cd-N(NCS) distances are 2.334 (4) and 2.379 (5) Å, respectively. Weak C-H⋯N inter-actions contribute to the crystal packing stability. ...[more]

PMID: 21580235

Similar Datasets

Tetra-kis(1-allyl-1H-imidazole-?N)bis-(thio-cyanato-?N)manganese(II).

Project description:The structure of the title compound, [Mn(NCS)(2)(C(6)H(8)N(2))(4)], consists of isolated mol-ecules of [Mn(NCS)(2)(Aim)(4)] (Aim = 1-allyl-imidazole), which contain a compressed octa-hedral MnN(6) chromophore (site symmetry [Formula: see text]). The NCS(-) anions are trans and four N atoms from the Aim ligands define the equatorial plane. The mean Mn-N(Aim) and Mn-N(NCS) distances are 2.270 and 2.229?Å, respectively. Weak C-H?N inter-actions contribute to the crystal packing stability.

| S-EPMC3254281 | biostudies-literature

trans-Tetra-kis(1-allyl-1H-imidazole-κN)bis-(thio-cyanato-κN)nickel(II).

Project description:The structure of the title compound, [Ni(NCS)(2)(C(6)H(8)N(2))(4)], consists of isolated mol-ecules of [Ni(NCS)(2)(Aim)(4)] (Aim = 1-allyl-imidazole), which contain a distorted octa-hedral NiN(6) chromophore. The NCS(-) anions are trans and four N atoms from the 1-allyl-imidazole ligands define the equatorial plane. The mean Mn-N(Aim) and Mn-N(NCS) distances are 2.105 (2) and 2.098 (2) Å, respectively. Weak C-H⋯N inter-actions contribute to the crystal packing stability.

| S-EPMC3274912 | biostudies-literature

Tetra-kis(1-phenyl-1H-imidazole-?N(3))bis-(thio-cyanato-?N)nickel(II).

Project description:The title compound, [Ni(NCS)(2)(C(9)H(8)N(2))(4)], crystallizes with two independent half-mol-ecules in the asymmetric unit and the Ni(II) ions situated on centres of symmetry. In both independent mol-ecules, the Ni(II) ion displays a compressed octa-hedral environment formed by four N atoms from the 1-phenyl-1H-imidazole ligands, which define the equatorial plane, with a mean Ni-N distance of 2.119?(11)?Å, and two axial N atoms from two NCS(-) anions, with a mean Ni-N distance of 2.079?(7)?Å. The crystal packing exhibits weak inter-molecular S?S contacts of 3.411?(2)?Å.

| S-EPMC3344356 | biostudies-other

Tetra-kis(ethyl pyridine-4-carboxyl-ate-?N)bis-(thio-cyanato-?N)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(8)H(9)NO(2))(4)], the Co(II) atom is six-coordinated by four N atoms from four ethyl pyridine-4-carboxyl-ate ligands in the equatorial plane and two N atoms of thio-cyanate ligands in the axial positions, showing a slightly distorted octa-hedral geometry. The structure exhibits disorder in one of the ethyl chains, which was refined using a two-site model with 0.70?(6):0.30?(6) occupancy.

| S-EPMC3379116 | biostudies-literature

Tetra-kis(pyridazine-?N)bis-(thio-cyanato-?N)nickel(II) pyridazine disolvate.

Project description:The reaction of nickel(II) thio-cyanate with an excess of pyridazine leads to single crystals of the title compound, [Ni(NCS)(2)(C(4)H(4)N(2))(4)]·2C(4)H(4)N(2). The Ni(II) cations are coordinated by two terminal N-bonded thio-cyanate anions (trans) and four pyridazine ligands in a slightly distorted octa-hedral geometry. The discrete complexes are arranged into layers parallel to the ab plane which are separated by additional non-coordinated pyridazine ligands.

| S-EPMC3379122 | biostudies-literature

catena-Poly[[bis-(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[bis-(1-ethyl-1H-imidazole-?N)cadmium]].

Project description:The asymmetric unit of the crystal structure of the title compound, [Cd(2)Cl(4)(C(5)H(8)N(2))(3)](n), contains two Cd(II) cations, three 1-ethyl-1H-imidazole ligands, and four Cl(-) anions. The two Cd(II) atoms have quite different coordination environments: one is octa-hedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent Cd(II) cations are inter-connected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668?(13):0.332?(13) site-occupancy ratio.

| S-EPMC3238745 | biostudies-literature

Di-?-thio-cyanato-?N:S;?S:N-bis-[bis-(2-methyl-1H-benzimidazole-?N)(thio-cyanato-?N)cadmium(II)].

Project description:The title compound, [Cd(2)(NCS)(4)(C(8)H(8)N(2))(4)], is a centrosymmetric dinuclear cadmium(II) complex in which each two metal ions are linked by a pair of thio-cyanate N:S-bridges. Two 2-methyl-benzimidazole N-atom donors and one terminal thio-cyanate N atom complete a highly distorted square-pyramidal geometry around the Cd atom. In the crystal structure, two N-H?S hydrogen-bonding inter-actions occur, resulting in a three-dimensional polymeric structure. The apical 2-methyl-benzimidazole ring and its symmetry-related counterpart are arranged in an anti-parallel manner with a centroid-centroid separation of 3.6050?(14)?Å, indicative of a ?-? inter-action.

| S-EPMC3009005 | biostudies-literature

Bis(2,2'-bi-1H-imidazole-?N,N)(thio-cyanato-?N)copper(II) chloride.

Project description:In the title salt, [Cu(NCS)(C(6)H(6)N(4))(2)]Cl, the Cu(II) atom adopts a five-coordinated square-pyramidal geometry consisting of an N atom from a thio-cyanate anion and four N atoms from two chealting biimidazole ligands. The thio-cyanate ligand occupies the axial position and is, like the Cu(II) centre, located on a mirror plane. The cation and anion are linked into a linear chain by N-H?S and N-H?Cl hydrogen bonds.

| S-EPMC2971028 | biostudies-literature

Crystal structures of tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)cobalt(II) monohydrate and bis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:Reaction of Co(NCS)2 and Zn(NCS)2 with 4-pyridine-thio-amide led to the formation of compounds with composition [Co(NCS)2(C6H6N2S)4]·H2O (1) and [Zn(NCS)2(C6H6N2S)2] (2), respectively. The asymmetric unit of compound 1, consists of one cobalt(II) cation, two thio-cyanate anions, four 4-pyridine-thio-amide ligands and one water mol-ecule whereas that of compound 2 comprises one zinc(II) cation that is located on a twofold rotation axis as well as one thio-cyanate anion and one 4-pyridine-thio-amide ligand in general positions. In the structure of compound 1, the cobalt(II) cations are octa-hedrally coordinated by two terminal N-bonding thio-cyanate anions and by the N atoms of four 4-pyridine-thio-amide ligands, resulting in discrete and slightly distorted octa-hedral complexes. These complexes are linked into a three-dimensional network via inter-molecular N-H⋯S hydrogen bonding between the amino H atoms and the thio-cyanate S atoms. From this arrangement, channels are formed in which the water mol-ecules are embedded and linked to the host structure by inter-molecular O-H⋯S and N-H⋯O hydrogen bonding. In the structure of compound 2, the zinc(II) cations are tetra-hedrally coordinated by two N-bonding thio-cyanate anions and the N atoms of two 4-pyridine-thio-amide ligands into discrete complexes. These complexes are likewise connected into a three-dimensional network by inter-molecular N-H⋯S hydrogen bonding between the amino H atoms and the thio-amide S atoms.

| S-EPMC5956324 | biostudies-literature

Tetra-kis[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one-?N]bis-(thio-cyanato-?N)nickel(II).

Project description:In the centrosymmetric mononuclear title complex, [Ni(NCS)(2)(C(11)H(11)N(3)O)(4)], the Ni(II) atom, located on an inversion centre, is hexa-coordinated in a distorted octa-hedral geometry comprising four N atoms of four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands and two N atoms from thio-cyanate anions.

| S-EPMC3011655 | 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