Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-(2,2'-Biimidazole-1,1'-di-yl)diethanoic acid.

ABSTRACT: In the title compound, C(10)H(10)N(4)O(4), the two imidazole rings adopt a trans conformation and are inclined to one another at a dihedral angle of 55.64 (4)°. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯N hydrogen bonds into chains running parallel to [010] and layers are formed from these by inter-molecular C-H⋯O hydrogen bonds. Additional C-H⋯O hydrogen bonds produce a three-dimensional network.

SUBMITTER: Zhang T

PROVIDER: S-EPMC2968835 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2'-(2,2'-Biimidazole-1,1'-di-yl)diethanoic acid.

Zhang Tingting T Zhang Tao T Ren Yingtao Y Liang Hongze H

Acta crystallographica. Section E, Structure reports online 20090328 Pt 4

In the title compound, C(10)H(10)N(4)O(4), the two imidazole rings adopt a trans conformation and are inclined to one another at a dihedral angle of 55.64 (4)°. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯N hydrogen bonds into chains running parallel to [010] and layers are formed from these by inter-molecular C-H⋯O hydrogen bonds. Additional C-H⋯O hydrogen bonds produce a three-dimensional network. ...[more]

PMID: 21582608

Similar Datasets

Terephthalic acid-2,2'-dimethyl-1,1'-(butane-1,4-di-yl)dibenzimidazole (2/3).

Project description:In the crystal structure of the title compound, 2C(8)H(6)O(4)·3C(20)H(22)N(4), there are three independent 2,2'-dimethyl-1,1'-(butane-1,4-di-yl)dibenzimidazole mol-ecules, each of which lies on an inversion centre. The terephthalic acid mol-ecules are linked to adjacent 2,2'-dimethyl-1,1'-(butane-1,4-di-yl)dibenzimidazole mol-ecules via O-H⋯N hydrogen bonds.

| S-EPMC2961189 | biostudies-literature

Dibromido[1,1'-dibutyl-2,2'-(pentane-1,1-di-yl)di-1H-benzimidazole]-copper(II).

Project description:In the title compound, [CuBr(2)(C(27)H(36)N(4))], the Cu(II) ion exhibits a distorted tetra-hedral coordination geometry provided by two bromide ions and by chelation of two imine N-atom donors from a bis-(benzimidazole) ligand. Chelation results in a six-membered boat-shaped ring which links the benzimidazole groups. Each bis-(benzimidazole) fragment contains three n-butyl substituents, two of which have the expected trans conformation; the third exhibits the higher-energy cis conformation, an orientation consistent with several short intra-molecular C-H⋯Br inter-actions. Essentially planar (r.m.s. deviations of 0.0101 and 0.0183 Å) benzimidazole groups are oriented so as to give the bis-(benzimidazole) fragment a V-shaped appearance in profile with the cis and trans n-butyl groups directed to opposite sides of the planes. In the crystal, columns of mol-ecules along the b-axis direction form layers parallel to the (202) planes. Within a given column, the mol-ecules are linked by C-H⋯Br hydrogen bonds. The mol-ecules in adjacent columns are also linked by inter-molecular C-H⋯π interactions, forming a three-dimensional network.

| S-EPMC3007084 | biostudies-literature

Dimethyl 2,2'-[2,2'-bi(1H-1,3-benzimidazole)-1,1'-di-yl]diacetate.

Project description:The whole mol-ecule of the title compound, C(20)H(18)N(4)O(4), is generated by an inversion center. The benzimidazole ring mean plane make a dihedral angle of 89.4 (8)° with the plane passing through the acetate group (COO). In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.743 (3) Å] involving inversion-related benzimidazole groups.

| S-EPMC3414963 | biostudies-literature

3,3'-(2,2'-Bi-1H-imidazole-1,1'-di-yl)dipropanamide.

Project description:In the title compound, C(12)H(16)N(6)O(2), the two imidazole rings are coplanar as a center of inversion exists midway along the C-C bond joining the two rings. In the crystal, inter-molecular N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds link adjacent mol-ecules into a two-dimensional layer structure parallel to (001).

| S-EPMC2977265 | biostudies-literature

2,2',5,5'-Tetra-methyl-1,1'-(hexane-1,6-di-yl)di-1H-pyrrole.

Project description:The mol-ecule of the title compound, C(18)H(28)N(2), composed of two 2,5-dimethyl-pyrrole groups linked by a hexane chain, lies across a crystallographic inversion centre. The mean plane of the pyrrole ring is almost perpendicular to the mean plane of the central chain, making a dihedral angle of 89.09 (8)°. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions.

| S-EPMC2969330 | biostudies-literature

Di-tert-butyl 3,3'-(2,2'-bi-1H-imidazole-1,1'-di-yl)dipropanoate.

Project description:In the title compound, C(20)H(20)N(4)O(4), the complete molecule is generated by a crystallographic centre of symmetry. The conformation is stabilized by two intramolecular C-H⋯N links.

| S-EPMC2969301 | biostudies-literature

2,2'-Dimethyl-1,1'-[2,2-bis-(bromo-methyl)propane-1,3-di-yl]dibenzimidazole hemihydrate.

Project description:The title compound, C(21)H(22)Br(2)N(4)·0.5H(2)O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

| S-EPMC3297910 | biostudies-literature

Benzoic acid-2,2'-biimidazole (2/1).

Project description:In the title compound, C(6)H(6)N(4)·2C(7)H(6)O(2), the asymmetric unit contains a half-mol-ecule of biimidazole and one benzoic acid mol-ecule. The unit cell contains two biimidazole mol-ecules and four benzoic acid mol-ecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimidazole mol-ecule is located on an inversion center (passing through the central C-C bond). Strong N-H⋯O and O-H⋯N hydrogen bonds link the benzoic acid mol-ecules with the neutral biimidazole mol-ecules, which lie in planar sheets. In the crystal packing, the parallel sheets are related by a twofold rotation axis and an inversion centre, respectively, forming an inter-woven three-dimensional network via weak C=O⋯π inter-molecular inter-actions between neighboring mol-ecules.

| S-EPMC3011557 | biostudies-literature

rac-N,N'-Dimethyl-N,N'-(1,1'-binaphthyl-2,2'-di-yl)diformamide.

Project description:The mol-ecule of the title compound, C(24)H(20)N(2)O(2), lies on a twofold rotation axis that relates one 2-(N-methyl-formamido)-naphthyl unit to the other. The N-methyl-formamido substituent is twisted by 54.9?(1)° with respect to the naphthalene fused-ring system; the two fused-ring systems are themselves twisted by 70.3?(1)°.

| S-EPMC3238889 | biostudies-other

3,3'-Dihy-droxy-6,6'-bis-(hy-droxy-meth-yl)-2,2'-(pentane-1,1-di-yl)di-4H-pyran-4-one.

Project description:In the title mol-ecule, C(17)H(20)O(8), the two pyran rings form a dihedral angle of 61.2 (2)°. The two hy-droxy-methyl groups are each disordered over two sets of sites in a 0.764 (3):0.236 (3) ratio. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ac plane.

| S-EPMC3344022 | 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