Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Kennedy AR

PROVIDER: S-EPMC3009334 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Kennedy Alan R AR Kipkorir Zaccheus R ZR Muhanji Claire I CI Okoth Maurice O MO

Acta crystallographica. Section E, Structure reports online 20101030 Pt 11

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. ...[more]

PMID: 21589150

Similar Datasets

1-[(3-Benz-yloxy-2-nitro-phen-oxy)meth-yl]benzene.

Project description:The asymmetric unit of the title compound, C(20)H(17)NO(4), consists of two crystallographically independent mol-ecules. In one of the mol-ecules, the central benzene ring forms dihedral angles of 2.26?(6) and 58.68?(6)° with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45?(6)°. The corresponding values for the other mol-ecule are 35.17?(6), 70.97?(6) and 69.62?(6)°, respectively. In the crystal, an inversion dimer linked by a pair of C-H?O hydrogen bonds occurs for one of the unique mol-ecules. C-H?? and ?-? [centroid-centroid distances = 3.7113?(8) and 3.7216?(7)?Å] inter-actions link the components into a three-dimensional network.

| S-EPMC3414184 | biostudies-literature

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

Project description: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.

| S-EPMC3239127 | 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

Methyl 3-[4-(4-nitro-benz-yloxy)phen-yl]propano-ate.

Project description:The title compound, C(17)H(17)NO(5), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The conformational structures of the two mol-ecules show small but significant differences in the dihedral angles between the two aryl rings with values of 18.8?(1)° for mol-ecule A and 7.5?(1)° for mol-ecule B. In mol-ecule A, the propano-ate group is twisted out of the plane of the benzene group [C(ar)-C(ar)-C-C torsion angle = -44.9?(2)°], while for mol-ecule B, this group lies closer to the plane [C(ar)-C(ar)-C-C torsion angle = 8.6?(3)°]. C-H?O inter-actions characterize the crystal-packing inter-actions in this compound.

| S-EPMC3393271 | biostudies-literature

1,4-Dihex-yloxy-2,5-bis-(2-nitro-phen-yl)benzene.

Project description:The title compound, C(30)H(36)N(2)O(6), was prepared via twofold Suzuki coupling of a diboronic acid with bromo-nitro-benzene. The mol-ecule is located on a crystallographic inversion centre. The lateral benzene ring and the central ring make a dihedral angle of 48.75 (14)° and the nitro group is twisted by 41.47 (13)° out of the plane of the benzene ring. The nitro and hex-yloxy groups are in close proximity and the hex-yloxy chain adopts an all-anti conformation.

| S-EPMC3343986 | biostudies-literature

2-Chloro-1-(3-fluoro-benz-yloxy)-4-nitro-benzene.

Project description:In the title compound, C(13)H(9)ClFNO(3), the benzene rings are oriented at a dihedral angle of 41.23?(5)°. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules in a herring-bone arrangement along the b axis and weak ?-? contacts between the benzene rings [centroid-centroid distance = 3.881?(1)?Å] may further stabilize the structure.

| S-EPMC2970168 | biostudies-other

1-Benz-yloxy-2,5-bis-(chloro-meth-yl)-4-meth-oxy-benzene.

Project description:In the title compound, C(16)H(16)Cl(2)O(2), the dihedral angle between the two rings is 52.65?(10)°. The two Cl atoms are trans to one another being displaced by 1.644?(5) and -1.664?(4)?Å from the plane of the benzene ring. Except for the two Cl atoms and the C atoms of the ring of the benz-yloxy group, all the other atoms of the compound lie in the same plane [maximum deviation = 0.056?(3)?Å]. In the crystal, no significant intermolecular interactions are observed.

| S-EPMC3414275 | biostudies-literature

1-(4-Benz-yloxy-5-meth-oxy-2-nitro-phen-yl)ethanone.

Project description:In the mol-ecule of the title compound, C(16)H(15)NO(5), the aromatic rings are oriented at a dihedral angle of 74.89 (3)°. Intra-molecular C-H⋯O inter-actions result in the formation of a seven-membered ring. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into chains along the b axis.

| S-EPMC2977694 | biostudies-literature

8-(4-Nitro-benz-yloxy)quinoline.

Project description:In the title compound, C(16)H(12)N(2)O(3), the planar quinoline ring system [maximum deviation = 0.025?(3)?Å] is oriented at a dihedral angle of 61.76?(7)° with respect to the benzene ring. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into chains parallel to the b axis. ?-? contacts between the quinoline rings [centroid-centroid distance = 3.623?(1)?Å] may further stabilize the structure.

| S-EPMC2970123 | 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