Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Bis(1-methyl-1H-benzimidazol-2-yl)-2-oxapropane.

ABSTRACT: In the title mol-ecule, C(18)H(18)N(4)O, the dihedral angle between the mean planes of the two benzimidazole ring systems is 61.5?(1)°.

SUBMITTER: Kou F

PROVIDER: S-EPMC3120604 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Bis(1-methyl-1H-benzimidazol-2-yl)-2-oxapropane.

Kou Fan F Liu Bin B Bai Ying Y Kong Jin J Wu Huilu H

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

In the title mol-ecule, C(18)H(18)N(4)O, the dihedral angle between the mean planes of the two benzimidazole ring systems is 61.5 (1)°. ...[more]

PMID: 21754817

Similar Datasets

1,3-Bis(1H-benzimidazol-2-yl)-2-oxapropane.

Project description:The title molecule, C(16)H(14)N(4)O, lies on a crystallographic inversion center. The -CH(2)- groups and the O atom are disordered over two sites with equal occupancy, the disorder of the O atom being symmetry imposed. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to (001) via inter-molecular N-H⋯N hydrogen bonds.

| S-EPMC2977649 | biostudies-literature

1,3-Bis(1-benzyl-1H-benzimidazol-2-yl)-2-oxapropane.

Project description:In the title compound, C(30)H(26)N(4)O, the dihedral angle between the two benzimidazole rings is 69.35 (9)°. The dihedral angles between the benzimidazole ring system and the phenyl ring are 76.79 (12) and 86.10 (11)° in the two benzyl-benzimidazole moieties.

| S-EPMC2977701 | biostudies-literature

Bis[1,3-bis-(1-methyl-1H-benzimidazol-2-yl)-2-oxapropane]-cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate.

Project description:In the title compound, [Cd(C(18)H(18)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·1.5CH(3)CN·0.25H(2)O, the Cd(II) ion is coordinated by four N atoms and two O atoms from two tridentate 1,3-bis-(1-methyl-1H-benzimidazol-2-yl)-2-oxopropane ligands in a distorted octa-hedral coordination environment. The lengths of the chemically equivalent Cd-O bonds [2.4850?(16) and 2.5488?(16)Å] are signiificantly different. One of the picrate anions is disordered over two sets of sites, with refined occupancies of 0.504?(15) and 0.496?(15). A 0.5-occupancy acetonitrile solvent mol-ecule is disordered over two sites with equal occupancies. The H atoms of a 0.25-occupancy solvent water mol-ecule were neither located nor included in the refinement.

| S-EPMC3089108 | biostudies-literature

Bis[1,3-bis-(1-benzyl-1H-benzimidazol-2-yl)-2-oxapropane]zinc(II) dipicrate dimethyl-formamide disolvate.

Project description:In the title compound, [Zn(C(30)H(26)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·2C(3)H(7)NO, the Zn(II) ion is coordinated in a distorted octa-hedral environment involving four equatorial N atoms and two O atoms in axial sites. The dihedral angles between the benzimidazole ring system and the phenyl rings in each of the benzyl-benzimidazole units are 78.56?(12), 81.68?(11), 75.76?(10) and 85.78?(9)°. In the crystal structure, there are weak but significant inter-molecular ?-? stacking inter-actions with centroid-centroid distances of 3.685?(1) and 3.978?(1)?Å.

| S-EPMC2969297 | biostudies-literature

Bis[1,3-bis(1-propyl-1H-benzimidazol-2-yl)-2-oxapropane]-cadmium(II) dipicrate dimethyl-formamide monosolvate.

Project description:In the title compound, [Cd(C(22)H(26)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·C(3)H(7)NO, the Cd(II) ion is coordinated by four N atoms and two O atoms from two tridentate 1,3-bis-(1-propyl-1H-benzimidazol-2-yl)-2-oxopropane ligands in a distorted octa-hedral coordination environment. There are significant differences in the chemically equivalent Cd-O bond lengths [2.618?(2)?Å and 2.561?(2)?Å].

| S-EPMC3201538 | biostudies-literature

Bis[1,3-bis-(1-benzyl-1H-benzimidazol-2-yl)-2-oxapropane]nickel(II) dipicrate-dimethyl-formamide-ethanol (1/2/0.25).

Project description:In the title compound, [Ni(C(30)H(26)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·2C(3)H(7)NO·0.25CH(3)CH(2)OH, the Ni(II) ion is coordinated in a distorted octa-hedral environment by four N atoms and two O atoms from two tridendate 1,3-bis-(1-benzyl-1H-benzimidazol-2-yl)-2-oxapropane ligands. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds and weak ?-? stacking inter-actions [centroid-centroid distance 3.501?(3)?Å]. As well as the cation, two anions and two dimethyl-formamide solvent mol-ecules, the asymmetric unit also contains an ethanol solvent molecule with 0.25 occupancy.

| S-EPMC2969312 | biostudies-literature

Crystal structure of 1,3-bis-(4-methyl-benz-yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate.

Project description:In the title hydrated symetrically substituted 1,3-bis-(4-methyl-benz-yl)benzimidazolium salt, C23H23N2 (+)·Br(-)·H2O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape. In the crystal, the cation is linked to the water mol-ecule by a short C-H⋯O hydrogen bond and the water mol-ecule forms O-H⋯Br hydrogen bonds. Together, these inter-actions lead to [010] chains. The packing is consolidated by C-H⋯Br hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid distances = 3.5401 (17) and 3.8815 (18) Å], generating a three-dimensional network.

| S-EPMC4331869 | biostudies-literature

Bis[1,3-bis-(benzimidazol-2-yl)-2-oxapropane]copper(II)-picrate-dimethyl-formamide (1/2/4).

Project description:In the title compound, [Cu(C(16)H(14)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·4C(3)H(7)NO, the Cu(II) ion is located on a crystallographic inversion center and is coordinated in a distorted octa-hedral environment by four N atoms and two O atoms forming two long Cu-O bonds. One of the unique dimethyl-formamide solvent mol-ecules is disordered over two sites with occupancies of 0.715 (6) and 0.285 (6). The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2960054 | biostudies-literature

Aqua-[1,3-bis-(benzimidazol-2-yl)-2-oxapropane]-diethano-lmanganese(II) dipicrate ethanol disolvate.

Project description:In the title complex, [Mn(C(16)H(14)N(4)O)(C(2)H(5)OH)(2)(H(2)O)](C(6)H(2)N(3)O(7))(2)·2C(2)H(5)OH, the Mn(II) ion is in a distorted octa-hedral coordination environment, defined by an MnN(2)O(4) donor set. The 1,3-bis-(benz-imid-azol-2-yl)-2-oxapropane ligand is tridentate. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the components into a three-dimensional network. The O atoms of one of the nitro groups are disordered over two sets of sites with refined occupancies of 0.577 (11) and 0.423 (11).

| S-EPMC3008082 | biostudies-literature

Bis[1,3-bis-(1-ethyl-1H-benzimidazol-2-yl)-2-oxapropane]-cadmium(II) dipicrate dimethyl-formamide disolvate.

Project description:In the title compound, [Cd(C(20)H(22)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·2C(3)H(7)NO, the Cd(II) ion is coordinated by four N atoms and two O atoms from two tridentate 1,3-bis-(1-ethyl-1H-benzimid-azol-2-yl)-2-oxapropane ligands in a distorted octa-hedral environment.

| S-EPMC3120347 | biostudies-other

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