Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Bojan RV

PROVIDER: S-EPMC2915042 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Bojan R Vilma RV Varga Richard A RA Silvestru Cristian C

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

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. ...[more]

PMID: 21200963

Similar Datasets

N,N-Bis(diphenyl-thio-phosphino-yl)-4-ethyl-aniline.

Project description:The title compound, C32H29NP2S2, has two mol-ecules in the asymmetric unit, with an r.m.s. difference of 0.218?Å in their best-fit overlay. Both mol-ecules have a slightly distorted trigonal-planar N atom, bonded to two P(V) atoms and a C atom of the 4-ethyl-phenyl unit. The P-N-P angles of 126.34?(11) and 125.98?(11)° are larger than the four C-N-P bond angles. The two S atoms are trans to one another with respect to the P-N-P angle. The crystal structure features C-H?? inter-actions. The methyl group in one of the mol-ecules is disordered over two sets of sites, with occupancies of 0.518?(6) and 0.482?(6).

| S-EPMC3589063 | biostudies-literature

Crystal structure of di-chlorido-bis-(4-ethyl-aniline-?N)zinc.

Project description:The title compound, [ZnCl2(C8H11N)2], was synthesized by the reaction of zinc dichloride and 4-ethyl-aniline. The Zn(2+) cation is coordinated by two Cl(-) anions and the N atoms of two 4-ethyl-aniline ligands, forming a distorted Zn(N2Cl2) tetra-hedron. The dihedral angle between the two benzene rings is 85.3?(2)° The Zn atom lies on a twofold rotation axis. The ethyl substituents are disordered over two sets of sites in a 0.74?(2):0.26?(2) ratio. In the crystal, N-H?Cl hydrogen bonds link the mol-ecules into sheets perpendicular to the a axis. C-H?Cl inter-actions also occur.

| S-EPMC4384566 | biostudies-literature

(Z)-N-[1-(Aziridin-1-yl)-2,2,2-tri-fluoro-ethyl-idene]-4-bromo-aniline.

Project description:The title compound, C10H8BrF3N2, crystallizes with two independent mol-ecules in the asymmetric unit, which can be considered as being related by a pseudo-inversion center, so their conformations are different; the corresponding N=C-N-C torsion angles are 54.6?(5) and -50.5?(5)°. In the crystal, mol-ecules related by translation in [001] inter-act through short inter-molecular Br?F contacts [3.276?(2) and 3.284?(2)?Å], thus forming two types of crystallographically independent chains.

| S-EPMC4011223 | biostudies-literature

Crystal structure of 4,4'-(ethane-1,2-di-yl)bis-(2,6-di-bromo-aniline).

Project description:In the title compound, C14H12Br4N2, the mol-ecule lies across an inversion center and hence the benzene rings are strictly coplanar. In the crystal, mol-ecules are linked by N-H⋯N and weak N-H⋯Br hydrogen bonds, forming a two-dimensional network parallel to (101). In addition, type II Br⋯Br inter-actions [3.625 (4) Å] complete a three-dimensional supra-molecular network.

| S-EPMC4331912 | biostudies-literature

1,5-Bis[1-(4-bromo-phen-yl)ethyl-idene]thio-carbonohydrazide.

Project description:The asymmetric unit of the title compound, C17H16Br2N4S, contains two independent mol-ecules in which the benzene rings form dihedral angles of 20.0?(1) and 55.3?(1)°. In the crystal, a pair of N-H?S hydrogen bonds link the two different independent mol-ecules into a dimer.

| S-EPMC3648255 | 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-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

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

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