Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis(2,2'-bi-1H-imidazole-κN,N)nickel(II) bis-(3-methyl-benzoate) 3-methyl-benzoic acid disolvate.

ABSTRACT: In the title compound, [Ni(C(6)H(6)N(4))(2)(H(2)O)(2)](C(8)H(7)O(2))(2)·2C(8)H(8)O(2), the Ni(II) atom (site symmetry ) is coordinated by two N,N'-bidentate 2,2'-biimidazole ligands and two water mol-ecules, resulting in a slightly distorted trans-NiO(2)N(4) geometry for the metal ion. In the crystal, the components are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating an infinite two-dimensional network running parallel to (100). The methyl group of the benzoic acid mol-ecule is disordered over two sites in a 0.563 (17):0.437 (17) ratio.

SUBMITTER: Hui Z

PROVIDER: S-EPMC2971984 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(?-2,2'-bi-1H-imidazole-1,1'-di-acet-ato)bis-[diaqua-cobalt(II)] hexa-hydrate.

Project description:The dinuclear title compound, [Co(2)(C(10)H(8)N(4)O(4))(2)(H(2)O)(4)]·6H(2)O, lies about an inversion centre. Each Co(II) atom is six-coordinated by two water mol-ecules, two carboxyl-ate O atoms and two N atoms of two symmetry-related 2,2'-bi-1H-imidazole-1,1'-diacetate (L(2-)) ligands in a slightly distorted octa-hedral geometry. Mol-ecules are linked into a three-dimensional framework via O-H?O and C-H?O hydrogen bonds.

| S-EPMC2977594 | biostudies-literature

Diaqua-bis-(2,2'-bi-1H-imidazole)-man-ganese(II) benzene-1,4-di-carboxyl-ate.

Project description:The asymmetric unit of the title compound, [Mn(C(6)H(6)N(4))(2)(H(2)O)(2)](C(8)H(4)O(4)), contains one-half each of the centrosymmetric cation and anion. The Mn(II) atom is coordinated by four N atoms [Mn-N = 2.2168?(14) and 2.2407?(14)?Å] from two 2,2'-biimidazole ligands and two water mol-ecules [Mn-O = 2.2521?(14)?Å] in a distorted octa-hedral geometry. Inter-molecular N-H?O and O-H?O hydrogen bonds consol-idate the crystal packing, which also exhibits ?-? inter-actions between five-membered rings, with a centroid-centroid distance of 3.409?(2)?Å.

| S-EPMC3379148 | biostudies-literature

Bis(2,2'-bi-1H-imidazole-?N,N)bis-(4-methyl-benzoato-?O)copper(II).

Project description:In title compound, [Cu(C(8)H(7)O(2))(2)(C(6)H(6)N(4))(2)], the Cu(II) atom (site symmetry ) is coordinated by two N,N'-bidentate 2,2'-biimidazole ligands and two weakly bonded 4-methyl-benzoate anions, resulting in a strongly elongated trans-CuO(2)N(4) octa-hedral geometry. In the crystal, adjacent mol-ecules are linked via pairs of N-H?O hydrogen bonds into chains propagating in [010].

| S-EPMC2972066 | biostudies-literature

Chlorido-(2,2'-{[2-(1-methyl-1H-imidazol-2-yl-κN 3)imidazolidine-1,3-diyl-κN]bis-(methyl-ene)}bis-(1-methyl-1H-imidazole-κN 3))copper(II) perchlorate.

Project description:In the crystal structure of the title complex, [CuCl(C17H24N8)]ClO4, the copper(II) metal exhibits an N4Cl penta-coordinate environment in a distorted square-pyramidal geometry. Coordination to the metal centre occurs through the three 1-methyl-imidazole N atoms from the pendant groups, one amine N atom from the imidazolidine moiety and one chlorido anion. Inter-molecular inter-actions take place at two of the 1-methyl--imidazole rings in the form of parallel-displaced π-π stacking inter-actions forming chains parallel to the a axis. Three O atoms of the perchlorate anion are rotationally disordered between two orientations with occupancies of 0.5.

| S-EPMC6505613 | biostudies-literature

Diaqua-bis-(1H-imidazole-4-carboxyl-ato-κN,O)zinc.

Project description:In the title compound, [Zn(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)], the Zn(II) ion is situated on a twofold rotation axis and exhibits a distorted octa-hedral coordination configuration. The equatorial plane contains two cis-oriented bidentate 1H-imidazole-4-carboxyl-ate ligands and the axial positions are occupied by two coordinated water mol-ecules. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. There are π-π inter-actions between the imidazole rings, with a centroid-to-centroid distance of 3.504 (3) Å.

| S-EPMC3151991 | biostudies-literature

Diaqua-bis-(4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-κN,O)manganese(II) N,N-dimethyl-formamide disolvate.

Project description:In the title compound, [Mn(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·2C(3)H(7)NO, the central Mn(II) ion, located on an inversion center, is hexa-coordinated by four O atoms from two water mol-ecules and two carboxyl-ate groups, and two N atoms from two 4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ate anions in a slightly distorted octa-hedral environment. The complex mol-ecules and solvent mol-ecules are connected via N-H⋯O and O-H⋯O hydrogen bonds into a two-dimensional polymeric structure parallel to (001).

| S-EPMC3151971 | biostudies-literature

Diaqua-bis-(4-carb-oxy-2-propyl-1H-imidazole-5-carboxyl-ato-κN,O)zinc(II) N,N-dimethyl-formamide disolvate.

Project description:In the crystal structure of the title compound, [Zn(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·2C(3)H(7)NO, the Zn(II) atom is coordinated by two N,O-bidentate 2-propyl-1H-imidazole-4,5-dicarboxyl-ate anions and two water mol-ecules in a distorted octa-hedral environment. The asymmetric unit consists of one Zn(II) atom located on a center of inversion as well as one anion, one water mol-ecule and one additional dimethyl-formamide mol-ecule that occupy general positions. Between the carboxyl and the carboxyl-ate group an intra-molecular hydrogen bond is found in which the hydroxy H atom is disordered. Disorder is also found for the H atoms of one of the three methyl groups. In the crystal structure, additional inter-molecular N-H⋯O and O-H⋯O hydrogen bonding is found.

| S-EPMC3006990 | biostudies-literature

Diaqua-bis(5-carb-oxy-2-methyl-1H-imidazole-4-carboxyl-ato-?N,O)cobalt(II) dimethyl-formamide disolvate.

Project description:In the title compound, [Co(C(6)H(5)N(2)O(4))(2)(H(2)O)(2)]·2C(3)H(7)NO, the Co(II) ion lies on an inversion center and adopts a slightly distorted CoN(2)O(4) octa-hedral geometry binding two bidentate chelating 5-carb-oxy-2-methyl-1H-imidazole-4-carboxyl-ate (H(2)MIDA(-)) monoanionic ligands and two axial aqua ligands. In the crystal structure, inter-molecular O-H?O hydrogen bonds link neighboring mol-ecules, generating a two-dimensional framework containing eight-membered H(4)O(4) rings. In addition, the dimethyl-formamide solvent mol-ecules are hydrogen bonded to the two-dimensional framework via the NH groups of the H(2)MIDA(-) ligands.

| S-EPMC2977566 | biostudies-literature

Bis[μ-1,1'-methyl-enebis(1H-imidazole)-κN:N]bis-[dichloridocobalt(II)].

Project description:The title compound, [Co(2)Cl(4)(C(7)H(8)N(4))(2)], contains a dinuclear complex molecule in which each Co(II) atom is tetra-hedrally coordinated by two N atoms and two chloride ions. The 1,1'-methyl-enebis(1H-imidazole) ligands adopt a bis-monodentate bridging mode linking two Co(II) atoms.

| S-EPMC3099993 | biostudies-literature

cis-Diaqua-bis-(2,2'-bipyrimidine-?N,N)manganese(II) bis-(perchlorate) nitro-methane disolvate monohydrate.

Project description:The asymmetric unit of the title compound, [Mn(C(8)H(6)N(4))(2)(H(2)O)(2)](ClO(4))(2)·2CH(3)NO(2)·H(2)O, contains one half of a cationic Mn(II) complex, a ClO(4) (-) anion, a nitro-methane solvent mol-ecule and one half-mol-ecule of water. The complex mol-ecule and the solvent water mol-ecule are located on a twofold rotation axis. In the complex, the Mn(II) ion has a distorted cis-N(4)O(2) octa-hedral coordination geometry defined by four N atoms of the two chelating 2,2'-bipyrimidine ligands and two O atoms of water mol-ecules. In the crystal, the complex cations, anions and solvent mol-ecules are linked by inter-molecular O-H?N, O-H?O and weak C-H?O hydrogen bonds. The ClO(4) (-) anion is disordered over two sites with a site-occupancy factor of 0.512?(12) for the major component.

| S-EPMC3238608 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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