Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-1-Bromo-4-(2-nitro-prop-1-en-yl)benzene.

ABSTRACT: The title compound, C(9)H(8)BrNO(2), which was synthesized by the condensation of 4-bromo-benzaldehyde with nitro-ethane, possesses a trans configuration. The dihedral angle between the benzene ring and the mean plane of the double bond is 7.31 (3)°. The crystal structure is stabilized by short inter-molecular Br⋯O contacts [3.168 (4) Å].

SUBMITTER: Li B

PROVIDER: S-EPMC2971981 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-Nitro-4-(2-nitro-prop-1-en-yl)benzene.

Project description:The asymmetric unit of the title compound, C(9)H(8)N(2)O(4), contains two crystallographically independent mol-ecules, both of which adopt an E configuration about the C=C bond. In the crystal, the mol-ecules stack into columns along the c axis through ?-? inter-actions, with centroid-centroid distances of 3.695?(3) and 3.804?(3)?Å. The columns are further connected into a three-dimensional network by C-H?O hydrogen bonds.

| S-EPMC3007014 | biostudies-literature

(E)-1-Nitro-2-(2-nitro-prop-1-en-yl)benzene.

Project description:The title compound, C(9)H(8)N(2)O(4), adopts an E conformation about the C=C bond. The CH(phen-yl)-C(phen-yl)-CH-C(-NO(2)) torsion angle is -57.7?(3)°. The crystal structure features weak inter-molecular C-H?O inter-actions.

| S-EPMC3414292 | biostudies-literature

1-Methyl-4-[(1E)-2-nitro-prop-1-en-1-yl]benzene.

Project description:The title compound, C(10)H(11)NO(2), adopts an E conformation about the C=C bond. The C=C-C=C torsion angle is 32.5?(3)°. The crystal structure features weak inter-molecular C-H?O inter-actions.

| S-EPMC3393329 | biostudies-literature

N-{1-[(3-Bromo-prop-yl)amino-carbon-yl]eth-yl}-2-(2-nitro-benzene-sulfonamido)propionamide.

Project description:In the title compound, C(15)H(21)BrN(4)O(6)S, all three NH groups are involved in inter-molecular N-H?O inter-actions which, together with two inter-molecular C-H?O contacts, lead to a continuous anti-parallel ?-sheet structure. There are no ?-? inter-actions between mol-ecules, and two C-H?? inter-actions primarily govern the linkage between sheets.

| S-EPMC2970335 | 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

(E)-2-(2-Nitro-prop-1-en-yl)furan.

Project description:Crystals of the title compound, C(7)H(7)NO(3), under Mo K? radiation sublime in less than 1h at room temperature. However, it was possible to collect data at 100K. It crystallized as the E isomer only. A double-bond conjugation in the furan ring is extended to the nitro-alkenyl group. Mol-ecular associations were realized in the crystal through N?? [3.545?(2)?Å] inter-actions involving the furan ring and C-H?O hydrogen bonds.

| S-EPMC2977323 | biostudies-literature

(Z)-3-(9-Anthr-yl)-1-(4-bromo-phen-yl)-2-(4-nitro-1H-imidazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(26)H(16)BrN(3)O(3), the anthracene and benzene mean planes make dihedral angles of 63.79?(2) and 14.67?(2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules to form centrosymmetric dimers. Weak ?-? stacking inter-actions, with centroid-centroid distances of 3.779?(2) and 3.826?(2)?Å, supply additional stabilization. The crystal packing also exhibits short inter-molecular contacts between the nitro groups and Br atoms [Br?O = 3.114?(2)?Å].

| S-EPMC2969633 | biostudies-literature

N-Phenyl-N-(prop-2-en-1-yl)benzene-sulfonamide.

Project description:In the mol-ecule of the title compound, C(15)H(15)NO(2)S, the dihedral angle between the two phenyl rings is 41.8?(3)°. The S atom has a distorted tetra-hedral environment. In the crystal structure, C-H?O hydrogen bonds link the molecules into a ribbon-like structure along [010].

| S-EPMC2979217 | biostudies-literature

(2E)-1-(2-Bromo-phen-yl)-3-(4-bromo-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Br(2)O, is a chalcone with 2-bromo-phenyl and 4-bromo-phenyl rings bonded to opposite sides of a propenone group. The dihedral angle between mean planes of the benzene rings is 71.3 (1)°. The angle between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo-phenyl and 4-bromo-phenyl rings are 64.2 (9) and 71.3 (1)°, respectively. A weak inter-molecular C-H⋯O inter-action and two weak C-Br⋯π inter-actions are observed, which contribute to the stability of the crystal packing.

| S-EPMC3006939 | biostudies-literature

5-Bromo-17-nitro-26,28-prop-2-en-oxy-25,27-dipropoxycalix[4]arene.

Project description:Mol-ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop-oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24?(1)°], whereas the propen-oxy-substituted rings enclose a dihedral angle of 70.44?(1)°. The dihedral angles between the methyl-ene C atoms and the aromatic rings shows that the propen-oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22?(8)°], whereas the prop-oxy-substituted rings are almost perpendicular [79.38?(10)°] to the plane of the methyl-ene C atoms.

| S-EPMC2968623 | 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