Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Chloro-4-nitro-1H-imidazole.

ABSTRACT: The mol-ecule of the title compound, C(3)H(2)ClN(3)O(2), is almost planar; the dihedral angle between the imidazole ring and the nitro group is 1.7?(2)°. In the crystal structure, pairs of inter-molecular C-H?O hydrogen bonds link inversion-related mol-ecules into dimers, generating R(2) (2)(10) ring motifs. The dimers are inter-connected into two-dimensional networks parallel to (102) via inter-molecular N-H?N hydrogen bonds. Further stabilization is provided by short inter-molecular Cl?O inter-actions [3.142?(2) and 3.1475?(19)?Å].

SUBMITTER: Fun HK

PROVIDER: S-EPMC3006860 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Chloro-4-nitro-1H-imidazole.

Fun Hoong-Kun HK Goh Jia Hao JH Chandrakantha B B Isloor Arun M AM Shetty Prakash P

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

The mol-ecule of the title compound, C(3)H(2)ClN(3)O(2), is almost planar; the dihedral angle between the imidazole ring and the nitro group is 1.7 (2)°. In the crystal structure, pairs of inter-molecular C-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, generating R(2) (2)(10) ring motifs. The dimers are inter-connected into two-dimensional networks parallel to (102) via inter-molecular N-H⋯N hydrogen bonds. Further stabilization is provided by short inter-molecular Cl⋯O inter ...[more]

PMID: 21588034

Similar Datasets

1-(3-Chloro-phen-yl)-2-methyl-4-nitro-1H-imidazole-5-carboxamide.

Project description:In the crystal structure of the title compound, C(11)H(9)ClN(4)O(3), pairs of N-H?N(imidazole) hydrogen bonds connect the mol-ecules into centrosymmetric dimers, which are further connected by N-H?O(carbamo-yl) hydrogen bonds into C(4) chains along [010]. Inter-play of these two kinds of hydrogen bonds connect the mol-ecules into layers perpendicular to [101]. The imidazole [maximum deviation 0.0069?(9)?Å] and phenyl rings are inclined at a dihedral angle of 58.44?(6)°; the nitro group is almost coplanar [dihedral angle 5.8?(2)°] with the imidazole ring while the carbamoyl group is almost perpendicular [70.15?(13)°] to it.

| S-EPMC3201265 | biostudies-literature

Crystal structure of 4,5-di-nitro-1H-imidazole.

Project description:The title compound, C3H2N4O4, forms crystals with two mol-ecules in the asymmetric unit which are conformationally similar. With the exception of the O atoms of the nitro groups, the mol-ecules are essentially planar. In the crystal, adjacent mol-ecules are associated by N-H⋯N hydrogen bonds involving the imidazole N-H donors and N-atom acceptors of the unsaturated nitro-gen of neighboring rings, forming layers parallel to (010).

| S-EPMC4555365 | biostudies-literature

1-Methyl-5-nitro-1H-imidazole.

Project description:In the title compound, C(4)H(5)N(3)O(2), the nitro group is twisted with respect to the imidazole ring by a dihedral angle of 5.60?(2)°. Weak inter-molecular C-H?O and C-H?N hydrogen bonding is present in the crystal structure.

| S-EPMC3247462 | biostudies-other

2-(3-Chloro-phen-yl)-4,5-dihydro-1H-imidazole.

Project description:In the title compound, C(9)H(9)ClN(2), a substituted imidazoline, the six- and five-membered rings are twisted from each other, making a dihedral angle of 17.07?(5)°. In the crystal structure, a short Cl?Cl [3.3540?(3)?Å] inter-action is observed. Neighbouring mol-ecules are linked together by inter-molecular N-H?N hydrogen bonds into a one-dimensional infinite chain along the [101] direction and short Cl?Cl contacts link the chains into a three-dimensional network. There is also a significant ?-stacking inter-action between the planar sections of the six- and five-membered rings.

| S-EPMC2968295 | biostudies-literature

1-Allyl-3-chloro-6-nitro-1H-indazole.

Project description:The indazole system in each of the two independent mol-ecules of the title compound, C(10)H(8)ClN(3)O(2), is planar (r.m.s. deviations = 0.005 and 0.005?Å). The nitro group is coplanar with the fused-ring system [dihedral angles = 1.3?(3) and 4.8?(3)?Å].

| S-EPMC2970361 | biostudies-literature

1-Allyl-3-chloro-5-nitro-1H-indazole.

Project description:In the title compound, C10H8ClN3O2, the indazole ring system makes a dihedral angle of 7.9?(3)° with the plane through the nitro group. The allyl group is rotated out of the plane of the indazole ring system [N-N-C-C torsion angle = 104.28?(19)°]. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming zigzag chains propagating along the b-axis direction.

| S-EPMC3884460 | biostudies-literature

2-(4-Chloro-phen-yl)-1-pentyl-4,5-di-phenyl-1H-imidazole.

Project description:In the title compound, C26H25ClN2, the phenyl rings and the 2-(4-chloro-phen-yl) group make dihedral angles of 30.03?(11), 67.49?(12) and 41.56?(11)°, respectively, with the imidazole ring. In the crystal, the mol-ecules inter-act with each other via very weak C-H?? contacts, forming layers parallel to (110).

| S-EPMC3793746 | biostudies-literature

2-(2,6-Di-chloro-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.

Project description:The title compound, C26H24Cl2N2, crystallizes with two independent mol-ecules (1 and 2) in the asymmetric unit. In mol-ecule 1, the two phenyl and 2,6-di-chloro-phenyl rings are inclined to the imidazole ring at angles of 74.12 (14), 26.13 (14) and 67.30 (14)°, respectively. In mol-ecule 2, due to the different mol-ecular environment in the crystal, the corresponding angles are different, viz. 71.72 (15), 16.14 (15) and 80.41 (15)°, respectively. In the crystal, mol-ecules 1 and 2 are linked by C-H⋯Cl inter-actions, and inversion-related 2 mol-ecules are linked by C-H⋯π inter-actions. There are no other significant inter-molecular inter-actions present.

| S-EPMC3684931 | biostudies-literature

Diaqua-bis-(1H-imidazole-?N(3))bis-(4-nitro-benzoato-?O(1))cadmium.

Project description:In the centrosymmetric title compound, [Cd(C(7)H(4)NO(4))(2)(C(3)H(4)N(2))(2)(H(2)O)(2)], the Cd(II) atom, located on an inversion center, is coordinated by two N atoms and four O atoms in an octa-hedral geometry. The inter-nal cohesion of the mol-ecule is enhanced by an intra-molecular O-H?O hydrogen bond. Inter-molecular O-H?O and C-H?O hydrogen bonds and ?-? contacts [centroid-centroid distance = 3.6549?(2)?Å] define two-dimensional networks parallel to (001), which are further connected by weaker C-H?O inter-actions into a weakly connected three-dimensional supra-molecular framework.

| S-EPMC3435578 | biostudies-literature

Crystal structure of 3-chloro-1-methyl-5-nitro-1H-indazole.

Project description:The mol-ecule of the title compound, C8H6ClN3O2, is built up from fused five- and six-membered rings connected to a chlorine atom and to nitro and methyl groups. The indazole system is essentially planar with the largest deviation from the mean plane being 0.007?(2)?Å. No classical hydrogen bonds are observed in the structure. Two mol-ecules form a dimer organised by a symmetry centre via a close contact between a nitro-O atom and the chlorine atom [at 3.066?(2)?Å this is shorter than the sum of their van der Waals radii].

| S-EPMC4645045 | 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