Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Chloro-5-nitro-aniline.

ABSTRACT: The mol-ecule of the title compound, C(6)H(5)ClN(2)O(2), is close to being planar (rms deviation = 0.032?Å for all non-H atoms), with a maximum deviation of -0.107?(3)?Å for an O atom. In the crystal structure, inter-molecular N-H?O and N-H?N inter-actions link the mol-ecules into a three-dimensional network.

SUBMITTER: Saeed A

PROVIDER: S-EPMC2969573 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Chloro-5-nitro-aniline.

Saeed Aamer A Ashraf Zaman Z Batool Mahira M Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

The mol-ecule of the title compound, C(6)H(5)ClN(2)O(2), is close to being planar (rms deviation = 0.032 Å for all non-H atoms), with a maximum deviation of -0.107 (3) Å for an O atom. In the crystal structure, inter-molecular N-H⋯O and N-H⋯N inter-actions link the mol-ecules into a three-dimensional network. ...[more]

PMID: 21583260

Similar Datasets

4-[(2-Chloro-4-nitro-phen-yl)diazen-yl]-N,N-diethyl-aniline.

Project description:In the title compound, C(16)H(17)ClN(4)O(2), the aromatic ring is twisted slightly with respect to the plane of the diazene group [N-N-C-C torsion angle = -3.9?(4)°]. The NO(2) group is twisted by 16.2?(4)° relative to the aromatic ring. The two ethyl chains are positioned such that one ethyl chain lies above and the other below the ring.

| S-EPMC3052010 | biostudies-literature

Isotypic crystal structures of 2,6-di-bromo-N,N-bis-(4-nitro-phen-yl)aniline and 2,6-di-chloro-N,N-bis-(4-nitro-phen-yl)aniline.

Project description:In the mol-ecules of the two isotypic title compounds, C18H11Br2N3O4 (I) and C18H11Cl2N3O4 (II), the tri-phenyl-amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058?(13)?Å for the Br compound (I) and 0.0074?(9)?Å for the Cl compound (II). In the crystals, mol-ecules are linked through C-H?O hydrogen bonds between phenyl rings and nitro groups and by X?O (X = Br, Cl) inter-actions, that are shorter than the sum of the van der Waals radii, leading to a three-dimensional network.

| S-EPMC4158496 | biostudies-literature

N-Benzyl-3-nitro-aniline.

Project description:The mol-ecule of the title compound, C(13)H(12)N(2)O(2), has a bent conformation with a torsion angle about the central C-N bond of 72.55?(19)°. In the crystal, the mol-ecules are connected via classical N-H?O and non-classical C-H?O hydrogen bonds into chains along [10[Formula: see text]]. The dihedral angle between the ring planes is 86.0?(6)°.

| S-EPMC3247412 | biostudies-literature

N-Ferrocenylmethyl-2-nitro-aniline.

Project description:In the title compound, [Fe(C(5)H(5))(C(12)H(11)N(2)O(2))], the two cyclo-penta-dienyl (Cp) rings are nearly eclipsed and parallel to each other, the dihedral angle between their mean planes being 2.54?(1)°. One of the Cp rings is substituted by a nitro-benzenamine group, which is essentially perpendicular to the substituted cyclo-penta-dienyl ring, with an N-C(H(2))-C-C torsion angle of 89.8?(2)°. Intra-molecular N-H?O and N-H?N hydrogen bonds occur. In the crystal, weak C-H?O hydrogen bonds link adjacent mol-ecules.

| S-EPMC3470183 | biostudies-literature

2,4-Dimethyl-6-nitro-aniline.

Project description:The asymmetric unit of the title compound, C(8)H(10)N(2)O(2), contains two independent mol-ecules, which are linked by weak N-H?O hydrogen-bonding inter-actions between the amino and nitro groups. The independent molecules are both approximately planar with r.s.d. deviations of 0.0216 and 0.0161?Å.

| S-EPMC3344519 | biostudies-literature

2-Bromo-4-nitro-aniline.

Project description:In the mol-ecule of the title compound, C(6)H(5)BrN(2)O(2), the dihedral angle between the nitro group and the aromatic ring is 4.57?(4)°. An intra-molecular N-H?Br inter-action results in the formation of a planar five-membered ring, which is oriented with respect to the aromatic ring at a dihedral angle of 1.64?(6)°. In the crystal structure, inter-molecular N-H?N and N-H?O hydrogen bonds link the mol-ecules.

| S-EPMC2968609 | biostudies-literature

4-Bromo-2-chloro-aniline.

Project description:The title compound, C(6)H(5)BrClN, is almost planar (r.m.s. deviation = 0.018?Å). In the crystal, mol-ecules are linked by inter-molecular N-H?N and weak N-H?Br hydrogen bonds, generating sheets.

| S-EPMC2980141 | biostudies-literature

2,6-Dibromo-4-chloro-aniline.

Project description:The title compound, C(6)H(4)Br(2)ClN, is almost planar (r.m.s. deviation = 0.024?Å) and two intra-molecular N-H?Br hydrogen bonds generate S(5) rings. In the crystal, N-H?Br hydrogen bonds link the mol-ecules into chains propagating in [010].

| S-EPMC3379461 | biostudies-literature

N-(3-Nitro-benzyl-idene)aniline.

Project description:In the title compound, C(13)H(10)N(2)O(2), a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitro-phenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C-H⋯O contacts and π-π inter-actions (centroid-centroid distances of 3.807 and 3.808Å).

| S-EPMC2960009 | biostudies-literature

3-Chloro-4-(4-chloro-phen-oxy)-N-[(Z)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(17)H(10)Cl(2)N(2)O(3)S, the thio-phene ring and the central benzene ring are almost coplanar [dihedral angle = 8.44?(3)°], while the dihedral angle between the two benzene rings rings is 77.49?(9)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds.

| S-EPMC3275174 | biostudies-other

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