Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(4-Iodo-benz-yl)-3-methyl-pyridinium bis-(benzene-1,2-dithiol-ato)nickelate(III).

ABSTRACT: The asymmetric unit of the title compound, (C(13)H(13)IN)[Ni(C(6)H(4)S(2))(2)], contains half each of two centrosymmetric anions and a single cation in a general position. In the anions, the Ni(III) ions are surrounded by four S atoms in a distorted square-planar geometry. In the crystal, the anions exhibit two different packing modes by stacking along the a axis in face-to-face and side-by-side fashions. Inter-ionic C-H?S hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.6947?(5)?Å] are observed.

SUBMITTER: Liu GX

PROVIDER: S-EPMC3247529 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(4-Iodo-benz-yl)-3-methyl-pyridinium bis-(benzene-1,2-dithiol-ato)nickelate(III).

Liu Guang-Xiang GX

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The asymmetric unit of the title compound, (C(13)H(13)IN)[Ni(C(6)H(4)S(2))(2)], contains half each of two centrosymmetric anions and a single cation in a general position. In the anions, the Ni(III) ions are surrounded by four S atoms in a distorted square-planar geometry. In the crystal, the anions exhibit two different packing modes by stacking along the a axis in face-to-face and side-by-side fashions. Inter-ionic C-H⋯S hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance ...[more]

PMID: 22219834

Similar Datasets

1-(4-Cyano-benz-yl)-3,5-dimethyl-pyridinium bis-(benzene-1,2-dithiol-ato)nickelate(III).

Project description:The asymmetric unit of the title compound, (C(15)H(15)N(2))[Ni(C(6)H(4)S(2))(2)], contains half each of two independent centrosymmetric anions and a single cation in a general position. The Ni(III) ions are coordinated by four S atoms in a square-planar geometry. The anions exhibit two packing modes, viz. stacked along the a axis in a face-to-face fashion with an alternate arrangement of anions and cations, and stacked in a side-by-side fashion, forming ribbons parallel to (011).

| S-EPMC3051972 | biostudies-literature

Bis[1-(3-cyano-benz-yl)pyridinium] bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:In the ionic title complex, (C(13)H(11)N(2))(2)[Ni(C(4)N(2)S(2))(2)], the Ni(II) ion is located on an inversion centre so the asymmetric unit contains one-half [Ni(mnt)(2)](2-) dianion (mnt(2-) is maleonitrile-dithiolate) and one 1-(3-cyano-benz-yl)pyridinium cation ([CNBzPy](+)). The Ni(II) ion in the [Ni(mnt)(2)](2-) anion is coordinated by four S atoms of two mnt(2-) ligands, and exhibits square-planar coordination geometry. In the [CNBzPy](+) cation, the benzene and pyridine rings are twisted with respect to the C/C/N plane incorporating the methyl-ene C atom that links them. The crystal structure is stabilized by Coulombic inter-actions.

| S-EPMC3050285 | biostudies-literature

1-Butyl-pyridinium bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(III).

Project description:The Ni(III) atom in the anion of the title complex, (C(9)H(14)N)[Ni(C(4)N(2)S(2))(2)], is coordinated by four S atoms of two maleonitrile-dithiol-ate ligands, and exhibits a square-planar coordination geometry.

| S-EPMC3246985 | biostudies-literature

Bis[1-(4-cyano-benz-yl)pyrazinium] bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:The asymmetric unit of the title complex, (C(12)H(10)N(3))(2)[Ni(C(4)N(2)S(2))(2)], consists of one 1-(4-cyano-benz-yl)pyrazinium cation and one half of an [Ni(mnt)(2)](2-) dianion (mnt(2-) is 1,2-dicyano-ethene-1,2-dithiol-ate). The Ni(2+) ion is located on an inversion center and is coordinated by four S atoms from two mnt(2-) ligands, exhibiting a square-planar coordination geometry. The cation adopts a conformation where both the pyrazine ring and the benzene ring are twisted with respect to the C-C-N reference plane by 16.5?(2) and 69.8?(1)°, respectively.

| S-EPMC3152075 | biostudies-literature

3,5-Dimethyl-1-(4-nitro-benz-yl)pyridinium bis-(benzene-1,2-dithiol-ato-?(2)S,S')nickelate(III).

Project description:The asymmetric unit of the title compound, (C(14)H(15)N(2)O(2))[Ni(C(6)H(4)S(2))(2)], contains one cation and two halves of two centrosymmetric crystallographically independent anions. In the anions, the Ni(III) atoms are coordinated by four S atoms in a distorted square-planar geometry. In the cation, the dihedral angle between the pyridine and benzene rings is 88.66?(17)°. In the crystal, anions and cations inter-act through C-H?S and C-H?O hydrogen bonds.

| S-EPMC3343816 | biostudies-other

1-(2-Fluoro-benzyl-ideneamino)pyridinium bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II).

Project description:In the title complex, (C(12)H(10)FN(2))(2)[Ni(C(4)N(2)S(2))(2)], the anion lies on an inversion center with the Ni(II) ion coordinated by four S atoms in a slightly distorted square-planar environment. In the unique cation, the dihedral angle between the benzene and pyridine rings is 7.1?(2)?Å.

| S-EPMC2977634 | biostudies-literature

Bis[1-(4-chloro-benz-yl)pyridinium] bis-(1,2,5-thia-diazole-3,4-dithiol-ato)nickelate(II).

Project description:The asymmetric unit of the salt, (C(12)H(11)ClN)(2)[Ni(C(2)N(2)S(3))(2)], comprises one cation and a half of Ni(tdas)(2) (tdas = 1,2,5-thia-diazole-3,4-dithiol-ate) anion. The Ni(II) atom is located at a centre of inversion. The Ni(II) atom has a square-planar coordination with Ni-S distances of 2.2052?(4) and 2.1970?(5)?Å. In crystal, weak C-H?S and C-H?Ni contacts are observed between the anions and cations.

| S-EPMC3212200 | biostudies-literature

Bis(1-amino-4-methyl-pyridinium) bis-(1,2-dicyano-ethene-1,2-dithiol-ato-?S,S')nickelate(II).

Project description:The asymmetric unit of the title compound, (C(6)H(9)N(2))(2)[Ni(C(4)N(2)S(2))(2)], contains one half of an [Ni(mnt)(2)](2-) anion (mnt is maleonitrile-dithiol-ate or 1,2-dicyano-ethene-1,2-dithiol-ate) and one 1-amino-4-methyl-pyridinium cation. The Ni(II) atom is located on an inversion centre. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules.

| S-EPMC2961888 | biostudies-other

Bis[1-(eth-oxy-carbonyl-meth-yl)pyridinium] bis-(1,2-dicyano-ethene-1,2-dithiol-ato-?(2)S,S')nickelate(II).

Project description:The asymmetric unit of the title ion-pair complex, (C(9)H(12)NO(2))(2)[Ni(C(4)N(2)S(2))(2)], contains two 1-(eth-oxy-carbonyl-meth-yl)pyridinium cations and one bis-(1,2-dicyano-ethene-1,2-dithiol-ato)nickelate(II) dianion, which exhibits a slightly distorted square-planar coordination geometry. In the crystal, the cations are linked by strong C-H?O hydrogen bonds into C(6) chains along [100]. The cations and anions are linked into a three-dimensional architecture by weak C-H?N and C-H?S inter-actions.

| S-EPMC3435580 | biostudies-literature

Bis[1-(2,6-dichloro-benz-yl)-3-methyl-pyrazin-1-ium] bis-(maleonitrile-dithiol-ato)nickelate(II).

Project description:In the crystal structure of the title compound, (C(12)H(11)Cl(2)N(2))(2)[Ni(C(4)N(2)S(2))(2)], the Ni(II) complex dianion is located on an inversion centre. The Ni(II) atom is coordinated by four S atoms in a square-planar geometry. In the cation, the dihedral angle between the benzene and pyrazine rings is 85.2?(2)°.

| S-EPMC2959589 | 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