Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(14)N(2)O(4), contains two independent mol-ecules in which the benzene rings are in a trans arrangement with respect to the C=C double bond and the rings are inclined by 4.3?(1) and 22.1?(1)° with respect to each other.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3006740 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile.

Asiri Abdullah M AM Khan Salman A SA Tan Kong Wai KW Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

The asymmetric unit of the title compound, C(17)H(14)N(2)O(4), contains two independent mol-ecules in which the benzene rings are in a trans arrangement with respect to the C=C double bond and the rings are inclined by 4.3 (1) and 22.1 (1)° with respect to each other. ...[more]

PMID: 21587950

Similar Datasets

(E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(19)H(20)O(5), is approximately planar; the dihedral angle between the benzene rings is 3.82?(8)°, and the central propenone C(=O)-C=C plane makes dihedral angles of 1.95?(10) and 3.17?(11)° with the two benzene rings. In the crystal structure, intra- and inter-molecular C-H?O hydrogen bonds are observed.

| S-EPMC3009186 | biostudies-literature

(E)-2-[(2-Formyl-phen-oxy)meth-yl]-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

Project description:In the title compound, C(18)H(15)NO(2), the dihedral angle between the two benzene rings is 74.8?(1)°. The carbonitrile chain is almost linear, the C-C-N angle being 176.2?(2)°. In the crystal, ?-? inter-actions [centroid-centroid distance = 3.842?(1)?Å] are observed.

| S-EPMC3254392 | biostudies-literature

(E)-1-(3-Bromo-phen-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The mol-ecular structure of the title compound, C(17)H(15)BrO(3), consists of a bromo-phenyl and a 3,4-dimeth-oxy-phenyl group linked through a prop-2-en-1-one spacer. The C=C double bond displays an E conformation, while the carbonyl group shows an S-cis conformation relative to the double bond.

| S-EPMC3297934 | biostudies-literature

(2E)-1-(2,5-Dimeth-oxy-phen-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(15)NO(5), an intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The benzene rings form a dihedral angle of 6.45?(7)° with each other. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(8) loops. Adjacent dimers are further connected by C-H?O hydrogen bonds into an infinite chain along the [011] direction.

| S-EPMC3247450 | biostudies-literature

(3,4-Dimeth-oxy-phen-yl)(4-fluoro-phen-yl)methanone.

Project description:In the title compound, C(15)H(13)FO(3), the dihedral angle between the two aromatic rings is 52.78?(8)°. In the crystal, inter-molecular C-H?O hydrogen bonds link mol-ecules into chains running parallel to the c axis.

| S-EPMC3006767 | biostudies-literature

(E)-1-(3,4-Dimeth-oxy-phen-yl)-3-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one.

Project description:In the title compound, C(18)H(18)O(3)S, the C=C double bond exists in an E configuration and the dihedral angle between the two benzene rings is 11.74 (8)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H⋯O hydrogen bonds. The crystal structure is also stabilized by weak C-H⋯π inter-actions.

| S-EPMC3200737 | biostudies-literature

3,4-Dimeth-oxy-4'-nitro-1,1'-biphen-yl.

Project description:The title compound, C(14)H(13)NO(4), was prepared through a palladium-catalysed Suzuki-Miyaura coupling reaction. The asymmetric unit comprises two mol-ecules related by pseudo-inversion symmetry. The dihedral angles between the benzene rings in the two mol-ecules are 44.30?(6) and 48.50?(6)° while those between the benzene ring and the nitro group are 6.54?(13) and 5.73?(10)°. The crystal packing is defined only by Van der Waals inter-actions.

| S-EPMC3344440 | biostudies-literature

(E)-2-(2-Formyl-phen-oxy-meth-yl)-3-phenyl-prop-2-ene-nitrile.

Project description:In the title compound, C(17)H(13)NO(2), the dihedral angle between the benzene and the phenyl ring is 65.92?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 175.55?(14)°. The crystal structure is stabilized by inter-molecular C-H?O inter-actions.

| S-EPMC3213455 | biostudies-literature

Crystal structure of 3-[4-(1H-imidazol-1-yl)phen-yl]-2-(4-nitro-phen-yl)prop-2-ene-nitrile.

Project description:In the title compound, C18H12N4O2, which has a delocalized D-π-A electronic structure, the dihedral angles between the central benzene ring and the planes of the pendant imidazole and nitro-benzene rings are 37.65 (9) and 4.96 (7)°, respectively. In the centrosymmetric crystal structure, mol-ecules are linked by weak C-H⋯O inter-actions, generating [001] C(6) chains.

| S-EPMC4555437 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-2-[(2-formylphen-oxy)meth-yl]prop-2-ene-nitrile.

Project description:In the title compound, C(17)H(12)ClNO(2), the dihedral angle between the two benzene rings is 42.9 (1)°. There are no sgnificant inter-molecular inter-actions.

| S-EPMC3343916 | 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