Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,4-Bis[(2-ethyl-1H-benzimidazol-1-yl)meth-yl]benzene.

ABSTRACT: In the title mol-ecule, C(26)H(26)N(4), the central benzene ring forms dihedral angles of 89.9?(2) and 85.4?(2)° with the two benzimidazole rings.

SUBMITTER: Wang Q

PROVIDER: S-EPMC3212293 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1,4-Bis[(2-ethyl-1H-benzimidazol-1-yl)meth-yl]benzene.

Wang Qiang Q Zhao Xing X Lou Haipeng H Wang Mengyan M

Acta crystallographica. Section E, Structure reports online 20110702 Pt 8

In the title mol-ecule, C(26)H(26)N(4), the central benzene ring forms dihedral angles of 89.9 (2) and 85.4 (2)° with the two benzimidazole rings. ...[more]

PMID: 22090950

Similar Datasets

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

Project description:In the title compound, C(20)H(14)N(4), the dihedral angles between the central benzene ring and the pendant benzimidazole ring systems are 46.60?(15) and 47.89?(16)°. The dihedral angle between the benzimidazole ring systems is 85.62?(12)° and the N atoms lie to the same side of the mol-ecule. In the crystal, mol-ecules are linked by C-H?N inter-actions and weak aromatic ?-? stacking [shortest centroid-centroid separation = 3.770?(2)?Å] is observed.

| S-EPMC3200633 | biostudies-literature

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

1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene.

Project description:In the title compound, C(14)H(14)N(4), the center of the phenyl-ene group is a crystallographic center of inversion. The compound is composed of three aromatic rings displaying a Z-like conformation. The dihedral angle between the pyrazole rings and the central phenyl ring is 83.84 (9)°.

| S-EPMC3151929 | biostudies-literature

catena-Poly[[[dichloridozinc(II)]-?-1,4-bis-(1H-benzimidazol-2-yl-?N)butane] 1,4-bis-(1H-benzimidazol-2-yl)butane solvate].

Project description:In the crystal structure of the title coordination polymer/co-crystal, {[ZnCl(2)(C(18)H(18)N(4))]·C(18)H(18)N(4)}(n), the tetrahedrally coordinated Zn(II) ions are linked by the N-heterocycle into a linear chain. Another N-heterocycle present is not coordinated to the metal atom but inter-acts with the chain through N-H?N and N-H?Cl hydrogen bonds. The butyl chain of the uncoordinated ligand is disordered over three positions in a 0.511?(4):0.289?(5):0.200?(5) ratio.

| S-EPMC2980004 | biostudies-literature

1,4-Bis(fluoro-meth-yl)benzene.

Project description:The title compound, C(8)H(8)F(2), lies across a crystallographic inversion centre. The structure features short C?F [2.8515?(18)?Å] and F?F [2.490?(4)?Å] contacts, which are significantly shorter than the sum of the van der Waals radii of these atoms. The F atom and methyl-ene H atoms are disordered over two positions with a site-occupancy ratio of 0.633?(3):0.367?(3). In the crystal structure, inter-molecular C-H?F inter-actions link neighboring mol-ecules into infinite chains along the b axis. In addition, C-H?? inter-actions link these mol-ecules along [10], forming a two-dimensional network parallel to (101).

| S-EPMC2968459 | biostudies-literature

1,4-Bis(iodo-meth-yl)benzene.

Project description:The centrosymmetric title compound, C(8)H(8)I(2), was prepared by metathesis from the dibromo analogue. In the crystal structure, weak C-H?I inter-actions link the mol-ecules into stacks down the b axis. The structure is further stabilized by short I?I contacts [3.8433?(2)?Å], forming undulating sheets in the (101) plane.

| S-EPMC2969495 | biostudies-literature

catena-Poly[[[diaqua-diformatonickel(II)]-μ-1,4-bis-(1H-benzimidazol-1-yl)benzene] dihydrate].

Project description:In the title one-dimensional coordination polymer, {[Ni(CHO(2))(2)(C(20)H(14)N(4))(H(2)O)(2)]·2H(2)O}(n), the Ni(II) atom lies on a crystallographic inversion centre. It is coordinated by two formate O atoms, two water O atoms and two N atoms from two 1,4-bis-(1H-benzimidazol-1-yl)benzene (bzb) ligands, resulting in a distorted trans-NiN(2)O(4) octa-hedral coordination geometry. The bzb mol-ecule acts as a bridging ligand to connect the metal atoms into a chain propagating in [1[Formula: see text][Formula: see text]]. The dihedral angle between the benzimidazole ring and the central benzene ring in the ligand is 38.16 (9)°. In the crystal, O-H⋯O hydrogen bonds crosslink the chains into (010) sheets.

| S-EPMC3274932 | biostudies-literature

1,4-Bis(benzimidazol-2-yl)benzene dimethyl-formamide disolvate.

Project description:The aromatic mol-ecule of the title compound, C(20)H(14)N(4)·2C(3)H(7)NO, occupies a special position on an inversion center. The benzimidazole unit (planar to within 0.008?Å) forms a dihedral angle of 9.1?(2)° with the central benzene ring. The benzimidazole H atom participates in a hydrogen bond with the dimethyl-formamide solvent molecule, thus giving rise to the title 1:2 aggregate. These aggregates are further linked in the crystal structure by aromatic ?-? stacking inter-actions [centroid-centroid distance = 6.356?(2)?Å].

| S-EPMC2968526 | biostudies-literature

1,4-Bis(1H-benzimidazol-1-yl)but-2-ene.

Project description:In the pseudo-centrosymmetric mol-ecule of the title compound, C(18)H(16)N(4), two benzimidazole fragments form the dihedral angles of 83.49?(7) and 79.37?(7)°, with the mean plane of the linking butene chain. No classical inter-molecular inter-actions are observed. The porous crystal packing exhibits voids of 85?Å(3).

| S-EPMC3152113 | biostudies-literature

1,4-Bis(3-pyridylmethyl-eneamino-meth-yl)benzene.

Project description:The title compound, C(20)H(18)N(4), is a flexible 3,3'-bipyridyl-type ligand with a long spacer group between the two pyridyl functions. The mol-ecule crystallizes around an inversion center, with one half-mol-ecule in the asymmetric unit and a dihedral angle of 71.85?(8)° between the pyridine ring and the central benzene ring.

| S-EPMC2968309 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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