Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of [3-(1H-benzimidazol-2-yl)propano-ato-κN (3)][3-(1H-benzimid-azol-2-yl)propanoic acid-κN (3)]copper(I).

ABSTRACT: In the title compound, [Cu(C10H9N2O2)(C10H10N2O2)], the Cu(I) ion is situated at a crystallographic centre of inversion and is coordinated in a linear environment by two benzimidazole N atoms from two symmetry-related 2-propanoic-1H-benzimidazole ligands. The ligands are disordered in a sense that statistically one of the carb-oxy-lic acid groups in each mol-ecule is deprotonated. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into chains along the a-axis direction. These chains are additionally linked into infinite two-dimensional networks in the ab plane by N-H⋯O hydrogen bonds.

SUBMITTER: Liu Z

PROVIDER: S-EPMC4331864 | biostudies-literature | 2015 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of [3-(1H-benzimidazol-2-yl)propano-ato-κN (3)][3-(1H-benzimid-azol-2-yl)propanoic acid-κN (3)]copper(I).

Liu Zhimin Z Zheng Shengrun S Feng Sisi S

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title compound, [Cu(C10H9N2O2)(C10H10N2O2)], the Cu(I) ion is situated at a crystallographic centre of inversion and is coordinated in a linear environment by two benzimidazole N atoms from two symmetry-related 2-propanoic-1H-benzimidazole ligands. The ligands are disordered in a sense that statistically one of the carb-oxy-lic acid groups in each mol-ecule is deprotonated. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into chains along the a-axis direction. These chains are ad ...[more]

PMID: 25705474

Similar Datasets

1-Methyl-2-({[(1-methyl-1H-benzimid-azol-2-yl)meth-yl](phen-yl)amino}-meth-yl)1H-benzimidazol-3-ium picrate.

Project description:In the title molecular salt, C(24)H(24)N(5) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angle between the benzimidazole rings of the cation is 5.041 (2)°. In the anion, the three nitro groups make dihedral angles of 2.468 (3), 12.795 (3) and 24.958 (4)° with respect to the central ring. In the crystal, weak aromatic π-π stacking [centroid-centroid distance = 3.599 (15) Å] consolidates the packing. In addition, an intra-molecular N-H⋯N hydrogen bond is observed.

| S-EPMC3151771 | biostudies-literature

Crystal structure of {bis-[(1H-benzimid-azol-2-yl-κN (3))meth-yl]sulfane}dichloridomercury(II).

Project description:In the asymmetric unit of the title compound, [HgCl2(C16H14N4S)], the Hg(II) cation is linked to two Cl atoms and two imidazole N atoms of the chelating bis-[(1H-benzimidazol-2-yl)meth-yl]sulfane ligand, forming a slightly distorted tetra-hedral environment. The substitued imidazole rings of the ligand are almost perfectly planar [with maximum deviations of 0.017 (3) and 0.012 (3) Å] and form a dihedral angle of 42.51 (5)°. The crystal packing can be described as alternating layers parallel to (010). In this arrangement, N-H⋯Cl hydrogen bonds between the N-H groups of the benzimidazole moieties and chloride ligands are responsible for the formation of the chain-like packing pattern along [010] exhibiting a C(6) graph-set motif.

| S-EPMC4719860 | biostudies-literature

Bis[(1H-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethyl-propano-ato-κN(3)]dichlorido-copper(II).

Project description:In the title compound, [CuCl(2)(C(12)H(15)N(3)O(2))(2)], the Cu(II) ion is located on an inversion center and is four-coordinated in a distorted square-planar geometry by two chloride anions and two N atoms from two (1H-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethyl-propano-ate ligands. The Cl-Cu-N angles of 90.55 (9) and 89.45 (9)° are close to ideal values. In the crystal, weak π-π stacking inter-actions are observed between inversion-related benzene rings [centroid-centroid distance = 4.0028 (6) Å].

| S-EPMC3344345 | biostudies-literature

Bis{μ-1,3-bis-[(2-methyl-1H-benzimid-azol-1-yl)meth-yl]benzene-κN:N}bis-(diiodidocadmium).

Project description:In the title compound, [Cd(2)I(4)(C(24)H(22)N(4))(2)], the 1,3-bis-[(2-methyl-1H-benzimidazol-1-yl)meth-yl]benzene ligand bridges two CdI(2) units, forming a centrosymmetric dinuclear complex. The Cd(II) atom adopts a distorted tetra-hedral coordination geometry. In the crystal, complex mol-ecules are linked into columns parallel to [101] by π-π stacking inter-actions, with centroid-centroid distances of 3.558 (2) Å.

| S-EPMC3246984 | biostudies-literature

2-Meth-oxy-6-(6-methyl-1H-benzimid-azol-2-yl)phenol.

Project description:In the title mol-ecule, C(15)H(14)N(2)O(2), the substituted benzene ring forms a dihedral angle of 4.15 (1)° with the benzimidazole ring system. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the solid state, mol-ecules are linked into chains along the [001] via inter-molecular bifurcated N-H⋯(O,O) hydrogen bonds, which generate R(1) (2)(5) ring motifs. The crystal packing is also consolidated by C-H⋯π inter-actions, and π-π stacking inter-actions between the imidazole and substituted benzene rings [centroid-centroid distance = 3.5746 (13) Å]. The methyl group attached to the benzimidazole ring system is disordered over two positions with occupancies of 0.587 (6) and 0.413 (6), suggesting 180° rotational disorder for the benzimidazole group.

| S-EPMC2969490 | biostudies-literature

A third polymorph of 1,4-bis-(1H-benzimid-azol-2-yl)benzene.

Project description:The title compound, C20H14N4, is a new polymorph of the previously reported structures, which were ortho-rhom-bic, space group Pbca [Bei et al. (2000). Acta Cryst. C56, 718-719] and monoclinic, space group P21/c [Dudd et al. (2003). Green Chem. 5, 187-192]. The asymmetric unit consists of two independent mol-ecules in which the dihedral angels between the central benzene ring and the outer benzimidazole ring systems are 16.81 (10) and 14.23 (10)° in one molecule and 26.09 (10) and 37.29 (10)° in the other. In the crystal, mol-ecules are linked by N-H⋯N and C-H⋯N hydrogen bonds into a tape running along the c-axis direction.

| S-EPMC4051014 | biostudies-literature

Bis[6-(1H-benzimidazol-2-yl-κN)pyridine-2-carboxyl-ato-κN,O]cobalt(II) dihydrate.

Project description:In the title compound, [Co(C(13)H(8)N(3)O(2))(2)]·2H(2)O, the Co(II) atom has a distorted octa-hedral environment defined by four N atoms and two O atoms from two 6-(1H-benzimidazol-2-yl)pyridine-2-carboxyl-ate ligands. In the crystal, the complex mol-ecules and uncoordinated water mol-ecules are linked via N-H⋯O and O-H⋯O hydrogen bonds, forming a two-dimensional supra-molecular structure parallel to (010). π-π inter-actions are present between the imidazole, pyridine and benzene rings [centroid-centroid distances = 3.528 (2), 3.592 (2), 3.680 (2) and 3.732 (3) Å].

| S-EPMC3254336 | biostudies-literature

1,3-Bis(prop-2-yn-yl)-1H-1,3-benzimid-azol-2(3H)-one.

Project description:In the title compound, C(13)H(10)N(2)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015 (1) Å. The two propynyl groups are nearly perpendicular to the benzimidazole plane, making dihedral angles of 85 (3) and 80 (2) °, and point in opposite directions. There are two short inter-molecular C-H⋯O contacts to the carbonyl O atom, one involving the acetyl-enic H atom and the other a H atom of the methyl-ene group.

| S-EPMC3089259 | biostudies-literature

{2-[6-(1H-Benzimidazol-2-yl-κN)-2-pyridyl-κN]benzimidazolato-κN}(dicyanamido-κN)(methanol-κO)copper(II).

Project description:In the title compound, [Cu(C(19)H(12)N(5))(C(2)N(3))(CH(3)OH)], the Cu(II) atom is coordinated by three N atoms from an anionic 2,6-bis-(1H-benzimidazol-2-yl)pyridine (bbp) ligand, an O atom from a methanol mol-ecule and one N atom from a dicyanamide anion. The crystal structure is stabilized by O-H⋯N and N-H⋯N hydrogen bonds, forming a three-dimensional network.

| S-EPMC3050137 | biostudies-literature

3-[1-(3-Hy-droxy-benz-yl)-1H-benzimid-azol-2-yl]phenol dimethyl sulfoxide monosolvate.

Project description:Crystals of the title compound were obtained as a 1:1 dimethyl sulfoxide solvate, C(20)H(16)N(2)O(2)·C(2)H(6)O. The mol-ecular conformation of the organic mol-ecule is similar to that in the previously reported unsolvated structure [Eltayeb et al. (2009 ▶). Acta Cryst. E65, o1374-o1375]. Thus, the dihedral angles formed by the benzimidazole moiety with the two benzene rings are 57.54 (4) and 76.22 (5)°, and the dihedral angle between the benzene rings is 89.23 (5)°. In the crystal, a three-dimensional network features O-H⋯O, O-H⋯N and O-H⋯S hydrogen bonds, as well as C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3470402 | 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