Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1H-Benzimidazol-1-yl)methanol.

ABSTRACT: In the title compound, C(8)H(8)N(2)O, the N-CH(2) and CH(2)-O bond lengths can be correlated to the manifestation of an anomeric effect in the N-CH(2)-O moiety. In the crystal, inter-molecular O-H?N hydrogen bonds link the mol-ecules into zigzag chains, with graph-set motif C(6), parallel to [001]. These chains are further linked into sheets by weak nonclassical C-H?O hydrogen bonds.

SUBMITTER: Rivera A

PROVIDER: S-EPMC3295415 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1H-Benzimidazol-1-yl)methanol.

Rivera Augusto A Maldonado Mauricio M Ríos-Motta Jaime J Fejfarová Karla K Dušek Michal M

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

In the title compound, C(8)H(8)N(2)O, the N-CH(2) and CH(2)-O bond lengths can be correlated to the manifestation of an anomeric effect in the N-CH(2)-O moiety. In the crystal, inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into zigzag chains, with graph-set motif C(6), parallel to [001]. These chains are further linked into sheets by weak nonclassical C-H⋯O hydrogen bonds. ...[more]

PMID: 22412526

Similar Datasets

1,4-Bis(1H-benzimidazol-2-yl)benzene methanol monosolvate.

Project description:The asymmetric unit of the title compound, C(20)H(14)N(4)·CH(4)O, contains two independent half-mol-ecules, each located on an inversion centre, and a methanol solvent mol-ecule. The benzimidazolyl groups form different dihedral angles [24.0?(1) and 11.6?(1)°] with the plane of the central benzene ring in the two mol-ecules. In the crystal, a two-dimensional network is formed through N-H? N, N-H?O and O-H?N hydrogen-bonding inter-actions between the benzimidazole units and methanol solvent mol-ecules. ?-? stacking inter-actions also occur between the benzimidazole rings of adjacent mol-ecules, with centroid-centroid distances of 3.720?(14)?Å and inter-planar distances of 3.53?(1)?Å .

| S-EPMC3050263 | biostudies-literature

2,6-Bis(1H-benzimidazol--2-yl)pyridine methanol trisolvate.

Project description:In the title compound, C(19)H(13)N(5)·3CH(4)O, the 2,6-bis-(2-benzimidazol-yl)pyridine mol-ecule is essentially planar with an r.m.s. deviation for all non-H atoms of 0.185 Å. The crystal structure is stabilized by inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds and weak π⋯π stacking inter-actions with centroid-centroid distances of 3.6675 (16) and 3.6891 (15) Å. The atoms of one of the methanol solvent molecules are disordered over two sites with refined occupancies of 0.606(8) and 0.394(8).

| S-EPMC2977700 | biostudies-literature

Diazido-bis[(1-methyl-1H-benzimidazol-2-yl)methanol-κN,O]manganese(II).

Project description:The title complex, [Mn(N(3))(2)(C(9)H(10)N(2)O)(2)], possesses crystallographically imposed twofold symmetry. The Mn(II) atom is coordinated by four N atoms and two O atoms in a distorted octa-hedral geometry. The crystal packing is stabilized by strong inter-molecular O-H⋯N hydrogen bonds.

| S-EPMC2979954 | biostudies-literature

Bis[bis-(1H-benzimidazol-2-ylmeth-yl)amine]copper(II) dichloride methanol disolvate dihydrate.

Project description:In the title compound, [Cu(C(16)H(14)N(5))(2)]Cl(2)·2CH(4)O·2H(2)O, the cationic metal complex resides on a crystallographic centre of inversion, with the Cu(2+) bonded to two bis-(1H-benzimidazol-2-ylmeth-yl)amines (IDB). The coordination geometry of the Cu(2+) ion is distorted octa-hedral with an N(6) ligand set. A three-dimensional framework structure is formed by means of hydrogen bonds and π-π inter-actions formed between imidazole and phenyl rings, and between phenyl and phenyl rings, with centroid-to-centroid distances of 3.690 (2)-3.977 (2) Å and interplanar spacings of 3.445 (2)-3.502 (2) Å.

| S-EPMC2915122 | biostudies-literature

Bis[(1-methyl-1H-benzimidazol-2-yl)methanol-κN,O]bis-(thio-cyanato-κN)cobalt(II) methanol solvate.

Project description:In the mononuclear title complex, [Co(NCS)(2)(C(9)H(10)N(2)O)(2)]·CH(3)OH, the cobalt(II) ion is surrounded by two (1-methyl-1H-benzimidazol-2-yl)methanol bidentate ligands and two thio-cyanate ligands, and exhibits a distorted octa-hedral coordination by four N atoms and two O atoms. The structure is consolidated by hydrogen bonds between the organic ligand, thio-cyanate anion and the uncoordinated methanol mol-ecule, leading to a chain along [100].

| S-EPMC2979919 | biostudies-literature

2-[1-(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)-1H-benzimidazol-2-yl]benzoic acid methanol solvate.

Project description:The condensation of 2-carb-oxy-benzaldehyde with 1,2-phenyl-enediamine unexpectedly yielded the title compound, C(22)H(14)N(2)O(4)·CH(4)O. The benzimidazole ring system is almost perpendicular to the phthalazine ring system, making a dihedral angle of 88.4?(5)°. Inter-molecular O-H?N and O-H?O hydrogen-bonding inter-actions stabilize the crystal structure.

| S-EPMC3007451 | biostudies-literature

2-[1-(2-Hydr-oxy-3-methoxy-benz-yl)-1H-benzimidazol-2-yl]-6-methoxy-phenol methanol 1.13-solvate.

Project description:In the main mol-ecule of the title compound, C(22)H(20)N(2)O(4)·1.13CH(4)O, the dihedral angles between the benzimidazole plane and the two benzene rings are 80.53 (10) and 82.76 (10)°. The solvent mol-ecules are disordered between three positions, with refined occupancies of 0.506 (13), 0.373 (13) and 0.249 (5). The crystal structure is stabilized by inter-molecular O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. The crystal studied was a merohedral twin [BASF ratio of 0.917 (1)/0.083 (1)].

| S-EPMC2969071 | biostudies-literature

1-[2-(1H-Benzimidazol-2-yl)eth-yl]-1H-1,2,3-benzotriazole.

Project description:In the title compound, C(15)H(13)N(5), the N-containing heterocycles are linked by an ethyl-ene spacer in a gauche conformation, the N-C-C-C torsion angle along the linker being 60.1 (3)°. The dihedral angle between the terminal benzotriazole and benzimidazole rings is 39.02 (6)°. In the crystal, adjacent mol-ecules are connected by N-H⋯N hydrogen bonds, forming an infinite chain along the c axis. π-π stacking inter-actions [centroid-centroid distance = 3.8772 (7) Å] between the benzotriazole rings of neighbouring chains extend these chains into a supra-molecular sheet in the bc plane. Weak inter-molecular C-H⋯N inter-actions further stabilize the crystal structure.

| S-EPMC3238838 | biostudies-literature

4-(1H-Benzimidazol-2-yl)benzonitrile.

Project description:The mol-ecule of the title compound, C(14)H(9)N(3), is essentially planar, the dihedral angle formed by the benzimidazole ring system with the benzene ring being 3.87?(3)°. In the crystal packing, mol-ecules are linked into zigzag chains running parallel to the b axis by inter-molecular N-H?N hydrogen-bond inter-actions.

| S-EPMC2961444 | biostudies-literature

2-(1H-Benzimidazol-2-yl)phenol.

Project description:The title mol-ecule, C13H10N2O, is essentially planar, the maximum deviation from the plane of the non-H atoms being 0.016 (2) Å. The imidazole ring makes a dihedral angle of 0.37 (13)° with the attached benzene ring. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds, forming chains propagating in [001]. The crystal packing also features four π-π stacking inter-actions involving the imidazole ring, fused benzene ring and attached benzene ring system [centroid-centroid distances = 3.6106 (17), 3.6108 (17), 3.6666 (17) and 3.6668 (17) Å].

| S-EPMC3998336 | 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