Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Bromo-2-[(E)-2-nitro-ethen-yl]benzene.

ABSTRACT: In the title compound, C(8)H(6)BrNO(2), the dihedral angle between the planes of the benzene ring and the nitro group is 22.99 (12)°. In the crystal, inversion dimers associated by pairs of short Br⋯O contacts [3.2319 (17) Å] occur.

SUBMITTER: Zhao PH

PROVIDER: S-EPMC3239127 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Bromo-2-[(E)-2-nitro-ethen-yl]benzene.

Zhao Pei-Hua PH Feng Zhan-Heng ZH Zhang Mei M Liu Ya-Qing YQ Zhao Gui-Zhe GZ

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

In the title compound, C(8)H(6)BrNO(2), the dihedral angle between the planes of the benzene ring and the nitro group is 22.99 (12)°. In the crystal, inversion dimers associated by pairs of short Br⋯O contacts [3.2319 (17) Å] occur. ...[more]

PMID: 22199975

Similar Datasets

(E)-1-Nitro-4-(2-nitro-ethen-yl)benzene.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), consists of two independent mol-ecules with similar geometries, each adopting a trans configuration about the olefinic double bond. The two mol-ecules are both almost planar (r.m.s. deviations = 0.034 and 0.035 Å) and form a dihedral angle of 83.62 (2)°. Short N⋯O contacts [2.834 (3)-2.861 (3) Å] are observed between the nitro groups of neighbouring mol-ecules, with the O atom located directly atop the p orbital of the N atom. In the crystal, the mol-ecules are linked into a three-dimensional network by the N⋯O inter-actions and by C-H⋯O hydrogen bonds.

| S-EPMC2971267 | biostudies-literature

1-Benz-yloxy-4-(2-nitro-ethen-yl)benzene.

Project description:The title compound, C(15)H(13)NO(3), crystallizes with three independent mol-ecules per asymmetric unit (Z' = 3). One of these mol-ecules is found to have a configuration with a greater twist between its two aromatic rings than the other two [compare 70.26 (13) and 72.31 (12)° with 84.22 (12)°]. There are also differences in the number and nature of the weak inter-molecular C-H⋯O contacts formed by each of the three mol-ecules.

| S-EPMC3009334 | biostudies-literature

1,2-Dimeth-oxy-3-[(E)-2-nitro-ethen-yl]benzene.

Project description:The title compound, C(10)H(11)NO(4), was synthesized via condensation of 2,3-dimeth-oxy-benzaldehyde with nitro-methane using microwave irradiation without solvent. The H atoms of the -CH=CH- group are in a trans configuration. The dihedral angle between the mean planes of the benzene ring and the nitro-alkenyl group is 23.90 (6)°.

| S-EPMC3007981 | biostudies-literature

1,3-Bis(bromo-meth-yl)-2-nitro-benzene.

Project description:In the title compound, C(8)H(7)Br(2)NO(2), an inter-mediate for the synthesis of macrocycles, the NO(2) group makes a dihedral angle of 65.07 (19)° with the arene ring, and the bromo-methyl substituents adopt a trans conformation about the ring such that the mol-ecule closely approximates C2 symmetry.

| S-EPMC2984041 | biostudies-literature

1-Methyl-2-[(E)-2-(2-thien-yl)ethen-yl]quinolinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(16)H(14)NS(+)·C(6)H(4)BrO(3)S(-), the cation exists in an E configuration and is essentially planar, the dihedral angle between the quinolinium and thio-phene rings being 3.45 (9)°. The anion is inclined to the cation with dihedral angles of 75.43 (8) and 72.03 (11)°, respectively between the benzene ring and the quinolinium and thio-phene rings. In the crystal, the cations and anions are arranged individually into separate chains along the c axis. The cation chains are stacked in an anti-parallel manner along the a axis by π⋯π inter-actions with centroid-centroid distances of 3.7257 (13) and 3.7262 (14) Å. Weak C-H⋯O and C-H⋯π inter-actions link the cations and anions into a three-dimensional network. Short Br⋯S [3.7224 (5) Å] and Br⋯O [3.4267 (16) Å] contacts are also observed.

| S-EPMC2979024 | biostudies-literature

1-Eth-oxy-2-meth-oxy-4-[2-(4-nitro-phen-yl)ethen-yl]benzene.

Project description:In the title mol-ecule, C(17)H(17)NO(4), the dihedral angle between the two aromatic rings is 42.47 (7)°. The nitro group is twisted by 7.44 (11)° out of the plane of the ring to which it is attached. The methoxy and ethoxy group O atoms deviate significantly from the phenyl ring [by 0.0108 (11) and 0.0449 (11) Å, respectively]. The crystal structure is stabilized by C-H⋯π inter-actions.

| S-EPMC3435807 | biostudies-literature

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(14)H(13)ClN(+)·C(6)H(4)BrO(3)S(-), the cation exists in an E configuration with respect to the ethenyl bond and is almost planar, the dihedral angle between the pyridinium and the benzene rings being 2.80 (7)°. The dihedral angles between the benzene ring of the anion and the pyridinium and benzene rings of the cation are 80.88 (7) and 79.05 (7)°, respectively. In the crystal, the cations are stacked into columns along the a axis as a result of π-π inter-actions between the pyridinium and chloro-benzene rings with a Cg⋯Cg distance of 3.6976 (8) Å. The anions are linked into chains along the a axis by weak C-H⋯O inter-actions. These anion chains are linked to adjacent cations by additional weak C-H⋯O and C-H⋯Br inter-actions, forming a two-dimensional network parallel to the ab plane. There are also short O⋯Br [3.2567 (11) Å] and C⋯O [2.9917 (18) Å] contacts. The crystal structure is further stabilized by C-H⋯π inter-actions involving the aromatic ring of the anion.

| S-EPMC2977483 | biostudies-literature

2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(16)H(15)N(2) (+)·C(6)H(4)BrO(3)S(-), the cation exists in the E configuration and is essentially planar with a dihedral angle of 3.10 (5)° between the pyridinium ring and the indole ring system. The π-conjugated planes of the cation and the anion are inclined to each other at a dihedral angle of 64.32 (4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The anions are linked into a chain along the a axis. The cations and the anions are linked into a three-dimensional network by N-H⋯O and weak C-H⋯O hydrogen bonds. The crystal structure is further stabilized by C-H⋯π inter-actions. A π-π inter-action between the five-membered heterocyclic ring of the indole system and the pyridinium ring is also observed with a centroid-centroid distance of 3.5855 (7) Å.

| S-EPMC2977651 | biostudies-literature

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 4-nitro-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(16)H(19)N(2) (+). C(6)H(4)NO(5)S(-), consists of two cations and two anions. The crystal structure is stabilized by π-π inter-actions between the pyridyl and phenyl rings of the cations, with a centroid-centroid distance of 3.7323 (6) Å.

| S-EPMC3343963 | biostudies-literature

1-[2-(2-Bromo-phen-yl)eth-yl]-4-chloro-2-nitro-benzene.

Project description:In the title mol-ecule, C(14)H(11)BrClNO(2), the dihedral angle between the mean planes of the bromo-substitued benzene and the chloro-substituted benzene rings is 1.8 (4) °. The nitro group is twisted by 15.8 (6)° from the mean plane of the benzene ring to which it is attached. The crystal packing is influenced by weak inter-molecular C-H⋯O inter-actions and weak π-π stacking inter-actions [centroid-centroid distances = 3.903 (2), 3.596 (2) and 3.903 (2) Å].

| S-EPMC3011469 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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