Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Bromo-2-chloro-aniline.

ABSTRACT: 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.

SUBMITTER: Wei ZB

PROVIDER: S-EPMC2980141 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Bromo-2-chloro-aniline.

Wei Zan-Bin ZB Liu Zhi-Hong ZH Ye Jian-Liang JL Zhang Hong-Kui HK

Acta crystallographica. Section E, Structure reports online 20091224 Pt 1

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. ...[more]

PMID: 21580132

Similar Datasets

(E)-4-Bromo-N-(2-chloro-benzyl-idene)-aniline.

Project description:In the title Schiff base mol-ecule, C(13)H(9)BrClN, the dihedral angle between the benzene rings is 49.8?(2)° and the mol-ecule has an E configuration about the C=N bond. In the crystal, there are no directional interactions but only van der Waals inter-molecular inter-action forces between neighbouring mol-ecules.

| S-EPMC3213634 | biostudies-literature

4-Bromo-N-(4-bromo-phen-yl)aniline.

Project description:In the title compound, C(12)H(9)Br(2)N, the dihedral angle between the benzene rings is 47.32?(5)°, whereas the pitch angles, or the angles between the mean plane of each aryl group 'propeller blade' and the plane defined by the aryl bridging C-N-C angle, are 18.1?(2) and 31.7?(2)°. No inter-molecular N-H hydrogen bonding is present in the crystal; however, there is a short inter-molecular Br?Br contact of 3.568?(1)?Å.

| S-EPMC3100017 | biostudies-literature

4-Bromo-2,6-dimethyl-aniline.

Project description:The asymmetric unit of the title compound, C(8)H(10)BrN, contains two independent mol-ecules. The Br, N and methyl group C atoms lie in the benzene ring planes. In the crystal structure, N-H?N hydrogen bonds link the mol-ecules.

| S-EPMC2915281 | 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-N-phenyl-aniline.

Project description:In the title compound, C(12)H(10)BrN, the dihedral angle between the benzene rings is 52.5 (1)°, whereas the pitch angles, or the angles between the mean plane of each aryl group 'propeller blade' and the plane defined by the aryl bridging C-N-C angle, are 19.6 (2) and 36.2 (3)°. While the N-H group is not involved in hydrogen-bonding inter-actions, the structure exhibits a network of inter-molecular C-H⋯π and N-H⋯π inter-actions.

| S-EPMC3099920 | 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

2-Chloro-5-nitro-aniline.

Project description: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.

| S-EPMC2969573 | biostudies-literature

N,N-Bis(2-bromo-ethyl)aniline.

Project description:The mol-ecule of the title compound, C(10)H(13)Br(2)N, has a twofold rotation axis along the N-C(phen-yl) bond. The compound shows a slightly distorted trigonal planar geometry around the N atom. The structural study shows the presence of inter-molecular C-H?Br inter-actions, resulting in a three-dimensional supra-molecular architecture.

| S-EPMC2915042 | biostudies-literature

5-Bromo-4-iodo-2-methyl-aniline.

Project description:The asymmetric unit of the title compound, C(7)H(7)BrIN, contains two independent mol-ecules, which are linked by weak N-H⋯N hydro-den-bonding inter-actions between the amino groups.

| S-EPMC3343968 | 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

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