Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of di-chlorido-bis-(1,3,4,5-tetra-methyl-1H-imidazol-2-ium-2-thiol-ate-?S)nickel(II).

ABSTRACT: In the mol-ecular structure of the title compound, [NiCl2(C7H12N2S)2], the Ni(II) atom has a distorted tetra-hedral geometry, coordinated by two Cl atoms [Ni-Cl= 2.2336?(6)?Å] and two thione S atoms [Ni-S= 2.3024?(6)?Å]. The angles at the Ni(II) cation, which lies on a twofold rotation axis, are Cl-Ni-Cl = 115.58?(3)° and S-Ni-S = 94.55?(3)°. All other angles at the central Ni(II) atom range from 109.46?(2) to 112.96?(2)°. The C-S-Ni angle is 99.91?(6)°. The planes of two imidazolium rings make a dihedral angle of 70.56?(6)°.

SUBMITTER: Ahmida A

PROVIDER: S-EPMC4571377 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of di-chlorido-bis-(1,3,4,5-tetra-methyl-1H-imidazol-2-ium-2-thiol-ate-κS)nickel(II).

Ahmida Aziza A Flörke Ulrich U Egold Hans H Henkel Gerald G

Acta crystallographica. Section E, Crystallographic communications 20150704 Pt 8

In the mol-ecular structure of the title compound, [NiCl2(C7H12N2S)2], the Ni(II) atom has a distorted tetra-hedral geometry, coordinated by two Cl atoms [Ni-Cl= 2.2336 (6) Å] and two thione S atoms [Ni-S= 2.3024 (6) Å]. The angles at the Ni(II) cation, which lies on a twofold rotation axis, are Cl-Ni-Cl = 115.58 (3)° and S-Ni-S = 94.55 (3)°. All other angles at the central Ni(II) atom range from 109.46 (2) to 112.96 (2)°. The C-S-Ni angle is 99.91 (6)°. The planes of two imidazolium rings make ...[more]

PMID: 26396777

Similar Datasets

Dichloridobis(1,3-diisopropyl-4,5-di-methyl-1H-imidazol-3-ium-2-thiol-ate-κS)copper(II).

Project description:The mol-ecular structure of the title compound, [CuCl2(C11H20N2S)2], shows the Cu(II) atom with a distorted tetra-hedral geometry from two Cl atoms [Cu-Cl = 2.2182 (6) Å] and two thione S atoms [Cu-S = 2.3199 (6) Å]. The angles at the copper cation, which lies on a twofold rotation axis, are Cl-Cu-Cl = 142.84 (4)°, Cl-Cu-S = 94.80 (2) and 99.97 (2)°, and S-Cu-S = 132.46 (4)°. The planes of the two imidazolium rings make a dihedral angle of 76.92 (8)°.

| S-EPMC3629488 | biostudies-literature

Crystal structure of bis-(2-methyl-1H-imidazol-3-ium) tetra-chlorido-cobaltate(II).

Project description:The asymmetric unit of the title compound, (C4H7N2)2[CoCl4], consists of two 2-methyl-imidazolium cations and one tetra-hedral [CoCl4](2-) anion. The anions and cations inter-act through N-H⋯Cl hydrogen bonds to define layers with a stacking direction along [100]. Besides van der Waals forces, weak C-H⋯Cl inter-actions between these layers stabilize the crystal packing.

| S-EPMC4555386 | biostudies-literature

1,1'-[(Biphenyl-4,4'-di-yl)bis-(methyl-ene)]di-1H-imidazol-3-ium tetra-chlorido-mercurate(II).

Project description:In the title compound, (C(20)H(20)N(4))[HgCl(4)], the Hg(II) ion is four-coordinated in a tetra-hedral environment defined by four chloride ions. The dihedral angle between the two phenyl rings is 32.83?(15)°. The protonated 1,1'-[(biphenyl-4,4'-di-yl)bis-(meth-yl-ene)]di-1H-imidazol-3-ium cations, showing a cis conformation, link the [HgCl(4)](2-) anions into an R(4) (4)(42) motif via N-H?Cl hydrogen bonds.

| S-EPMC3238662 | biostudies-literature

Bis(2-ethyl-1H-imidazol-3-ium) tetra-chloridocuprate(II).

Project description:In the crystal structure of the title salt, (C(5)H(9)N(2))(2)[CuCl(4)], the organic cations and the tetrahedral [CuCl(4)] anions are linked into a three-dimensional network by N-H?Cl hydrogen bonds. The two 2-ethyl imidazolium cations in the asymmetric unit differ in the orientation of the ethyl group, with N-C-C-C torsion angles of -170.0?(4) and -87.6?(5)°.

| S-EPMC3050348 | biostudies-literature

1H-Imidazol-3-ium-4-carboxyl-ate.

Project description:In the title compound, C(4)H(4)N(2)O(2), both imidazole N atoms are protonated and carboxyl-ate group is deprotonated, resulting in a zwitterion. The mol-ecule is essentially planar, with an r.m.s. deviation of 0.012?(1)?Å. In the crystal, N-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.674?(2)?Å] between the imidazole rings link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3254480 | biostudies-other

catena-Poly[2-methyl-1H-imidazol-3-ium [(aqua-chloridocadmate)-di-μ-chlorido]].

Project description:The asymmetric unit of the title compound, {(C(4)H(7)N(2))[CdCl(3)(H(2)O)]}(n), contains one 1-methyl-1H-imidazol-3-ium cation, one Cd(II) atom, three Cl atoms and one water mol-ecule. Adjacent Cd ions are inter-connected alternately by paired Cl(-) bridges to generate an infinite one-dimensional coordination chain along the b axis. In the chain, the crystallographically unique Cd(II) atom, with a distorted octa-hedral geometry, is coordinated by five Cl(-) ions and one water mol-ecule. Intra-chain O-H⋯Cl hydrogen bonding and N-H⋯Cl hydrogen bonding between the cations and the anionic chains consolidate the crystal packing.

| S-EPMC3246997 | biostudies-literature

Crystal structure of bis-[1,3,4,5-tetra-methyl-1H-imidazole-2(3H)-thione-?S]chlorido-copper(I).

Project description:The mol-ecular structure of the title compound, [CuCl(C7H12N2S)2], shows a slightly distorted trigonal-planar coordination geometry of the Cu atom. The Cu-Cl bond measures 2.2287?(9)?Å, and the two Cu-S bonds are significantly different from each other, with values of 2.2270?(10) and 2.2662?(10)?Å. Also, the S-Cu-Cl angles differ, with values of 113.80?(4) and 124.42?(4)°, while the S-Cu-S angle is 121.51?(4)°. The two imidazole rings are almost parallel, making a dihedral angle of 2.1?(2)°. In the crystal, the shortest C-H?Cl interactions stabilize a three-dimensional network with molecules linked into centrosymmetric dimers that are stacked along the b-axis direction.

| S-EPMC4257435 | biostudies-literature

5-Carb-oxy-2-isopropyl-1H-imidazol-3-ium-4-carboxyl-ate monohydrate.

Project description:In the title compound, C(8)H(10)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxyl-ate groups is deprotoned, forming a zwitterion. An intra-molecular O-H?O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds. In addition, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into two-dimensional networks parallel to (10[Formula: see text]).

| S-EPMC3152056 | biostudies-literature

4-Carb-oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl-ate monohydrate.

Project description:In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra-molecular framework.

| S-EPMC2967941 | biostudies-literature

Bis(5-amino-4-amino-carbonyl-1H-imid-azol-3-ium) (5-amino-4-amino-carbonyl-1H-imidazol-3-ium-κO)-di-μ-chlorido-hepta-chlorido-dibismuth(III) mono-hydrate.

Project description:The title compound, (C(4)H(7)N(4)O)(2)[Bi(2)Cl(9)(C(4)H(7)N(4)O)]·H(2)O, was prepared by the reaction of bis-muth trichloride and 5-amino-1H-imidazole-4-carboxamide in a dilute HCl medium. The asymmetric unit contains two 5-amino-4-amino-carbonyl-1H-imidazol-3-ium cations, one edge-shared non-centrosymmetric biocta-hedral [Bi(2)C1(9)(C(4)H(7)N(4)O)](2-) dianion and a water mol-ecule. In the dianion, the planar 5-amino-4-amino-carbonyl-1H-imidazol-3-ium ligand occupies an equatorial site and is inclined at an angle of 75.7 (2)° to the Bi(2)(μ-C1)(2) plane. The salt forms a three-dimensional network arising from hydrogen bonds between cations, anions and water mol-ecules.

| S-EPMC2961098 | 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