Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-[1-(3-Hydroxy-benz-yl)-1H-benz-imid-azol-2-yl]phenol.

ABSTRACT: In the title mol-ecule, C(20)H(16)N(2)O(2), the benzimidazole mean plane forms dihedral angles of 56.55?(3) and 81.65?(4)° with the two benzene rings. In the crystal structure, inter-molecular O-H?O and O-H?N hydrogen bonds link the mol-ecules into layers parallel to the (101) plane. The crystal packing also exhibits weak inter-molecular C-H?O and C-H?? inter-actions.

SUBMITTER: Eltayeb NE

PROVIDER: S-EPMC2969736 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3-[1-(3-Hydroxy-benz-yl)-1H-benz-imid-azol-2-yl]phenol.

Eltayeb Naser Eltaher NE Teoh Siang Guan SG Fun Hoong-Kun HK Jebas Samuel Robinson SR Adnan Rohana R

Acta crystallographica. Section E, Structure reports online 20090523 Pt 6

In the title mol-ecule, C(20)H(16)N(2)O(2), the benzimidazole mean plane forms dihedral angles of 56.55 (3) and 81.65 (4)° with the two benzene rings. In the crystal structure, inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules into layers parallel to the (101) plane. The crystal packing also exhibits weak inter-molecular C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 21583223

Similar Datasets

2-[5-(4-Hydroxy-phen-yl)-1-phenyl-1H-pyrazol-3-yl]phenol.

Project description:The title compound, C(21)H(16)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(4-methoxy-phen-yl)propane-1,3-dione. The pyrazole ring and one of the hydr-oxy-substituted benzene rings are approximately coplanar, forming a dihedral angle of 7.5?(3)°. The relative conformation of these rings may be influenced by an intra-molecular O-H?N hydrogen bond. In the crystal structure, inter-molecular O-H?O hydrogen bonds involving different hydr-oxy groups of symmetry-related mol-ecules form extended chains along [201].

| S-EPMC2961782 | 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?? inter-actions.

| S-EPMC3470402 | biostudies-literature

1-[6-(Hydroxy-meth-yl)-2-pyrid-yl]-3-(2,4,6-trimethyl-benz-yl)-1H-imidazol-3-ium bromide.

Project description:In the title compound, C(19)H(22)N(3)O(+)·Br(-), the imidazole ring is approximately coplanar with the pyridine ring [dihedral angle = 0.88?(13)°] and nearly perpendicular to the benzene ring [dihedral angle = 81.70?(13)°]. O-H?Br and C-H?Br hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2959624 | biostudies-literature

4-(Hydroxy-meth-yl)phenol.

Project description:In the mol-ecule of the title compound, C(7)H(8)O(2), the phenol O and hydroxy-methyl C atoms lie in the ring plane [deviations of -0.015?(3) and and 0.013?(3)?Å, respectively]. In the crystal structure, inter-molecular O-H?O hydrogen bonds link mol-ecules into a network. A weak C-H?? inter-action is also found.

| S-EPMC2969401 | 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

2-[(4-Meth-oxy-benz-yl)imino-meth-yl]phenol.

Project description:In the title Schiff base compound, C(15)H(15)NO(2), prepared from 4-meth-oxy-benzyl-amine and salicyl-aldehyde, an intra-molecular O-H?N hydrogen bonds influences the mol-ecular conformation; the two aromatic rings form a dihedral angle of 73.5?(1)°. In the crystal, weak inter-molecular C-H?O inter-actions link the mol-ecules into chains propagating in [010].

| S-EPMC3011435 | biostudies-literature

2-Eth-oxy-6-{[1-(3-eth-oxy-2-hy-droxy-benz-yl)-1H-benzimidazol-2-yl]meth-yl}phenol nitro-methane monosolvate.

Project description:In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth-oxy-6-methyl-phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021?(2)?Å], making a dihedral angle of 84.32?(7)°. The benzene ring of the 2-eth-oxy-phenol group is somewhat inclined to the benzimidazole ring plane by 28.03?(5)°. The dihedral angle between the benzene rings is 82.20?(9)°. The compound reveals strong intra-molecular O-H?N and O-H?O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol-ecules are connected by bifurcated O-H?(O,O) hydrogen bonds, forming chains along the b axis.

| S-EPMC3379470 | biostudies-literature

4-Hydroxy-meth-yl-2-methoxy-phenol.

Project description:The title compound, C(8)H(10)O(3), is close to planar (r.m.s. deviation = 0.042?Å) apart from the hydroxyl O atom [deviation = 1.285?(1)?Å] and an intra-molecular O-H?O hydrogen bond occurs. In the crystal, inter-molecular O-H?O links lead to chains propagating in [001].

| S-EPMC2971384 | biostudies-literature

2-(4-Hydroxy-phenyl-sulfon-yl)phenol.

Project description:The title compound, C(12)H(10)O(4)S, is a phenolic color developer used for leuco colorants. The two benzene rings with substituent hydr-oxy groups are nearly perpendicular to each other [dihedral angle = 91.5?(1)°]. There are inter-molecular O-H?O hydrogen bonds between an OH group of one mol-ecule and a sulfonyl O atom of a neighboring mol-ecule. One mol-ecule is hydrogen bonded to four symmetry-related mol-ecules, forming a two-dimensional hydrogen-bond network.

| S-EPMC2968383 | 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