Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Guo JH

PROVIDER: S-EPMC3011655 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Guo Jian-Hua JH

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

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. ...[more]

PMID: 21589343

Similar Datasets

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

Project description:In the mononuclear title complex, [Mn(NCS)(2)(C(11)H(11)N(3)O)(4)], the Mn(II) atom, lying on an inversion center, is coordinated by two monodentate thio-cyanate anions and four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted octa-hedral geometry. Each complex mol-ecule is linked to four neighboring ones by weak C-H?N and C-H?S hydrogen bonds, forming a two-dimensional sheet parallel to (001).

| S-EPMC3011681 | biostudies-literature

Bis(nitrato-?O)tetra-kis-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one]copper(II).

Project description:In the title complex, [Cu(NO(3))(2)(C(11)H(11)N(3)O)(4)], the Cu(II) atom is situated on a centre of inversion and is coordinated by two O atoms from two nitrate anions and four N atoms from four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted octa-hedral geometry. Weak inter-molecular C-H?O and C-H?N hydrogen bonds result in a supra-molecular layer parallel to (101). These layers are connected by ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.891?(2)?Å].

| S-EPMC3201555 | biostudies-literature

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

Project description:The title compound, [Cu(NCS)(2)(C(11)H(11)N(3)O)(2)], contains two independent Cu(II) atoms. Each Cu(II) atom, lying on an inversion center, is coordinated by two N atoms from two NCS(-) anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent mol-ecules occupy the axial positions with long Cu?S distances [3.0495?(10) and 3.1045?(9)?Å] and complete the overall distorted octahedral coordination sphere. Weak inter-molecular C-H?O hydrogen bonds are present.

| S-EPMC3414160 | 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(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

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

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

Project description: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.

| S-EPMC2983676 | biostudies-literature

3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1).

Project description:In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine mol-ecule is essentially planar; the phenyl ring makes a dihedral angle of 2.3?(2)° with the mean plane of the 1,2,4-triazole ring. In the 5-phenyl-1,2,4-triazol-3-amine tautomer, the mean planes of the phenyl and 1,2,4-triazole rings form a dihedral angle of 30.8?(2)°. The ?-electron delocalization of the amino group with the 1,2,4-triazole nucleus in the 3-phenyl-1,2,4-triazol-5-amine mol-ecule is more extensive than that in the 5-phenyl-1,2,4-triazol-3-amine tautomer. The mol-ecules are linked into a two-dimensional network parallel to (100) by N-H?N hydrogen bonds.

| S-EPMC2968046 | biostudies-literature

Tetra-kis(1H-imidazole-?N)(2-phenyl-propanedioato-?O,O)nickel(II).

Project description:In the title complex, [Ni(C(9)H(6)O(4))(C(3)H(4)N(2))(4)], the Ni(II) ion is O,O'-chelated by the phenyl-malonato ligand and coordinated by four imidazole ligands in a slightly distorted octa-hedral geometry. In the crystal structure, symmetry-related mol-ecules are linked by N-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3009345 | 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