Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(1H-Benzimidazol-1-yl)-1-(2-fur-yl)ethanone O-isopropyl-oxime.

ABSTRACT: In the mol-ecule of the title compound, C(16)H(17)N(3)O(2), the planar benzimidazole ring system [maximum deviation = 0.015?(2)?Å] is oriented at a dihedral angle of 72.17?(4)° with respect to the furan ring. An intra-molecular C-H?O inter-action results in the formation of a six-membered ring having an envelope conformation. In the crystal structure, inter-molecular C-H?N inter-actions link the mol-ecules into centrosymmetric R(2) (2)(18) dimers.

SUBMITTER: Ozel Guven O

PROVIDER: S-EPMC2969188 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(1H-Benzimidazol-1-yl)-1-(2-fur-yl)ethanone O-isopropyl-oxime.

Ozel Güven Ozden O Erdoğan Taner T Coles Simon J SJ Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20090617 Pt 7

In the mol-ecule of the title compound, C(16)H(17)N(3)O(2), the planar benzimidazole ring system [maximum deviation = 0.015 (2) Å] is oriented at a dihedral angle of 72.17 (4)° with respect to the furan ring. An intra-molecular C-H⋯O inter-action results in the formation of a six-membered ring having an envelope conformation. In the crystal structure, inter-molecular C-H⋯N inter-actions link the mol-ecules into centrosymmetric R(2) (2)(18) dimers. ...[more]

PMID: 21582878

Similar Datasets

2-(1H-Benzimidazol-1-yl)-1-(2-fur-yl)ethanone O-ethyl-oxime.

Project description:In the mol-ecule of the title compound, C(15)H(15)N(3)O(2), the planar benzimidazole ring system [maximum deviation = 0.023?(2)?Å] is oriented at a dihedral angle of 74.21?(5)° with respect to the furan ring. In the crystal structure, inter-molecular C-H?N inter-actions link the mol-ecules into centrosymmetric R(2) (2)(18) dimers. In addition, the structure is stabilized by ?-? contacts between parallel imidazole rings [centroid-centroid distance = 3.726?(1)?Å] and a weak C-H?? inter-action.

| S-EPMC2969343 | biostudies-literature

1-(1-Benzyl-1H-benzimidazol-2-yl)ethanone.

Project description:In the title compound, C16H14N2O, the benzimidazole ring system is essentially planar. The planes of the benzene rings make a dihedral angle of 85.92 (8)°. In the crystal, neighbouring molecule are connected into paris along the c axis by weak C-H⋯O interactions and the connected pairs are expanded through C-H⋯N hydrogen bonds and C-H⋯π interactions along the b axis.

| S-EPMC3588942 | biostudies-literature

2-[(1H-Benzimidazol-2-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:The title compound, C(15)H(12)N(2)OS, adopts a twisted V-shape, with the S atom as the pivot. The benzimidazole ring system [maximum deviation = 0.015 (1) Å] makes a dihedral angle of 78.56 (7)° with the phenyl ring. The O atom of the ketone group is close to coplanar with its adjacent ring [O-C-C-C torsion angle = 11.0 (2)°]. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into an infinite chain along [001]. The crystal packing also features a C-H⋯π inter-action.

| S-EPMC3394045 | biostudies-literature

2-(1H-Benzimidazol-1-yl)-1-(2-furyl)ethanone O-propyloxime.

Project description:In the mol-ecule of the title compound, C(16)H(17)N(3)O(2), the planar benzimidazole ring system [maximum deviation = 0.013?(1)?Å] is oriented at a dihedral angle of 75.32?(4)° with respect to the furan ring. An intra-molecular C-H?O inter-action results in the formation of a planar six-membered ring [maximum deviation = 0.019?(15)?Å], which is oriented at a dihedral angle of 1.91?(3)° with respect to the adjacent furan ring. In the crystal structure, inter-molecular C-H?N inter-actions link the mol-ecules into centrosymmetric R(2) (2)(18) dimers. In addition, the structure is stabilized by ?-? contacts between the imidazole rings [centroid-centroid distance = 3.5307?(8)?Å] and weak C-H?? inter-actions.

| S-EPMC2969417 | biostudies-literature

(Z)-1-(2,4-Difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone oxime.

Project description:In the title compound, C(10)H(8)F(2)N(4)O, the dihedral angle between the rings is 65.4 (1)°. In the crystal, inter-molecular O-H⋯N and C-H⋯F hydrogen bonds link the mol-ecules in a stacked arrangement along the a and c axes, respectively.

| S-EPMC3239095 | biostudies-literature

2-(1H-Benzimidazol-1-yl)-1-phenyl-ethanone.

Project description:In the mol-ecule of the title compound, C(15)H(12)N(2)O, the planar benzimidazole system is oriented at a dihedral angle of 80.43?(5)° with respect to the phenyl ring. In the crystal structure, non-classical inter-molecular C-H?N and C-H?O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

| S-EPMC2961837 | biostudies-other

(E)-1-(4-Amino-phen-yl)ethanone oxime.

Project description:In the mol-ecule of the title compound, C(8)H(10)N(2)O, the oxime group is oriented at a dihedral angle of 5.58 (3)° with respect to the benzene ring. In the crystal structure, inter-molecular O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC2959509 | biostudies-literature

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

Project description: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.

| S-EPMC3295415 | biostudies-literature

1-(1-Benzofuran-2-yl)ethanone O-(4-chloro-benz-yl)oxime.

Project description:In the title compound, C(17)H(14)ClNO(2), the p-chloro-benz-yloxy residue assumes an E conformation with respect to the benzofuran system. The carbo- and heterocyclic systems make a dihedral angle of 47.99?(4)°. In the crystal, there are no significant intermolecular interactions present.

| S-EPMC3515271 | biostudies-literature

(Z)-1-(4-Methyl-phen-yl)-2-(phenyl-sulfon-yl)ethanone oxime.

Project description:The mol-ecule of the title compound, C(15)H(15)NO(3)S, has a twisted U-shaped conformation: the twist occurs at the central C-S(=O)(2)-C-C-C unit and the benzene ring makes a dihedral angle of 28.74?(7)° with the phenyl ring. The S-C-C=N torsion angle is -88.95?(13)°. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds generate R(2) (2)(6) loops, and C-H?O hydrogen bonds connect the dimers into a three-dimensional network.

| S-EPMC3414300 | 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