Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(10)H(13)Br(2)N, the amino N atom is essentially coplanar with the benzene ring, with an r.m.s. deviation of 0.004?Å. Weak intra-molecular N-H?Br hydrogen bonds occur. In the crystal, mol-ecules are linked into a zigzag chain parallel to the b axis by weak N-H?N hydrogen bonds.

SUBMITTER: Zhao L

PROVIDER: S-EPMC3011637 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhao Liang L Feng Li-Ping LP

Acta crystallographica. Section E, Structure reports online 20101124 Pt 12

In the title compound, C(10)H(13)Br(2)N, the amino N atom is essentially coplanar with the benzene ring, with an r.m.s. deviation of 0.004 Å. Weak intra-molecular N-H⋯Br hydrogen bonds occur. In the crystal, mol-ecules are linked into a zigzag chain parallel to the b axis by weak N-H⋯N hydrogen bonds. ...[more]

PMID: 21589551

Similar Datasets

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

2,6-Dibromo-4-butyl-anilinium chloride.

Project description:In the crystal structure of the title salt, C(10)H(14)Br(2)N(+)·Cl(-), the organic cations and chloride anions are linked into one-dimensional chains parallel to the a axis by N-H?Cl and N-H?Br hydrogen bonds.

| S-EPMC3011703 | 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

1,5-Diamino-2,6-dibromo-9,10-anthraquinone.

Project description:In the title compound, C(14)H(8)Br(2)N(2)O(2), the mol-ecular structure features intra-molecular N-H?O [2.639?(2)?Å and 130°] and N-H?Br [3.053?(2)?Å and 114°] hydrogen bonding. Due to inversion symmetry, the asymmetric part of the unit cell consits of one half-mol-ecule. In the crystal, inversion dimers linked by pairs of N-H?O [2.955?(2)?Å and 135°] hydrogen bonds occur. The structure also features C=O?? [3.228?(2)?Å] and Br?Br [3.569?(1)?Å] contacts.

| S-EPMC3297896 | biostudies-literature

Bis(2,6-dimethyl-pyridinium) dibromo-iodate bromide.

Project description:In the title salt, 2C(7)H(10)N(+)·IBr(2) (-)·Br(-), each of the anions, viz. [IBr(2)](-) and Br(-), lie on a twofold axis. The IBr(2) (-) anion is almost linear, with a Br-I-Br angle of 178.25?(3)°. The cation is essentially planar (r.m.s. deviation = 0.0067?Å). In the crystal, each Br(-) anion links two cations via N-H?Br?H-N hydrogen-bonding inter-actions.

| S-EPMC3435755 | biostudies-literature

2,4-Dibromo-6-tert-butyl-benzene-1,3-diol.

Project description:In the title compound, C(10)H(12)Br(2)O(2), a multiply substituted bromo-arene, the C-C-C angles within the aromatic ring are in the range 115.7?(7)-122.4?(7)°. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, but no ?-? stacking is observed.

| S-EPMC3201261 | biostudies-literature

N-(Diphenyl-vinyl-idene)-2,6-diisopropyl-aniline.

Project description:The title compound, C(26)H(27)N, was prepared by the elimination of water from N-(2,6-diisopropyl-phen-yl)-2,2-diphenyl-acetamide. The angle at the central C atom of the cumulene measures 172.5?(4)°. Mol-ecules are connected into infinite chains by inter-molecular C-H?N inter-actions.

| S-EPMC2967944 | biostudies-literature

Bis(2,6-diamino-3,5-dibromo-pyridinium) hexa-bromidostannate(IV).

Project description:The asymmetric unit of the title compound, (C(5)H(6)Br(2)N(3))(2)[SnBr(6)], contains one cation and one half-anion in which the Sn atom is located on a crystallographic centre of inversion and is in a quasi-octa-hedral geometry. The crystal structure is assembled via hydrogen-bonding inter-actions of two kinds, N(pyridine/amine)-H?Br-Sn, along with C-Br?Br-Sn interactions [3.4925?(19)?Å]. The cations are involved in ?-? stacking, which adds an extra supra-molecularity as it presents a strong case of offset-face-to-face motifs [centroid-centroid distance = 3.577?(3)?Å]. The inter-molecular hydrogen bonds, short Br?Br inter-actions and ?-? stacking result in the formation of a three-dimensional supra-molecular architecture.

| S-EPMC2977624 | biostudies-literature

2,6-Dibromo-4-(2-hy-droxy-eth-yl)phenol.

Project description:The title compound, C(8)H(8)Br(2)O(2), crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They differ in the conformation of the 2-hy-droxy-ethyl chain with the C-C-C-O torsion angle being -68.0 (12)° in mol-ecule A and 172.2 (9)° in mol-ecule B. In the crystal, the A mol-ecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers, while the B mol-ecules are linked via an O-H⋯O hydrogen bond, forming a polymeric chain propagating in [010]. In addition, there are O-H⋯O and O-H⋯Br hydrogen bonds, and Br⋯Br [3.599 (2) Å] and π-π inter-actions [centroid-centroid distances = 3.581 (6) and 3.931 (6) Å], leading to the formation of a two-dimensional network parallel to (001).

| S-EPMC3238923 | biostudies-literature

3,6-Dibromo-9-(4-tert-butyl-benz-yl)-9H-carbazole.

Project description:In the title compound, C(23)H(21)Br(2)N, which was synthesized by the N-alkyl-ation of 1-tert-butyl-4-(chloro-meth-yl)benzene with 3,6-dibromo-9H-carbazole, the asymmetric unit contains two unique mol-ecules. Each carbazole ring system is essentially planar, with mean deviations of 0.0077 and 0.0089?Å for the two mol-ecules. The carbazole planes make dihedral angles of 78.9?(2) and 81.8?(2)° with the planes of the respective benzene rings.

| S-EPMC2962237 | 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