Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-Ethyl 2-cyano-3-(2,4-dimeth-oxy-phen-yl)prop-2-enoate.

ABSTRACT: The C=C bond in the title compound, C(14)H(15)NO(4), is in an E configuration. With the exception of the methyl C atoms, the non-H atoms of the mol-ecule all lie approximately on a plane (r.m.s. deviation = 0.096?Å). ?-? stacking is observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7924?(8)?Å.

SUBMITTER: Abdelhamid AA

PROVIDER: S-EPMC3247569 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-Ethyl 2-cyano-3-(2,4-dimeth-oxy-phen-yl)prop-2-enoate.

Abdelhamid Antar A AA Mohamed Shaaban K SK Khalilov Ali N AN Gurbanov Atash V AV Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20111005 Pt 11

The C=C bond in the title compound, C(14)H(15)NO(4), is in an E configuration. With the exception of the methyl C atoms, the non-H atoms of the mol-ecule all lie approximately on a plane (r.m.s. deviation = 0.096 Å). π-π stacking is observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7924 (8) Å. ...[more]

PMID: 22219874

Similar Datasets

Crystal structure of cholest-5-en-3?-yl 3-(2,4-dimeth-oxy-3-methyl-phen-yl)prop-2-enoate.

Project description:In the title compound, C39H58O4, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, mol-ecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C-H?O hydrogen bonds and C-H?? inter-actions, forming a three-dimensional framework.

| S-EPMC4384600 | biostudies-literature

(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

(Z)-Ethyl 2-(4-chloro-phen-yl)-3-[(2,4-difluoro-phen-yl)amino]-prop-2-enoate.

Project description:In the title compound, C(17)H(14)ClF(2)NO(2), the amino-acrylo-yloxy group makes dihedral angles of 47.55?(11)° with the 4-chloro-phenyl group and 8.74?(12)° with the difluoro-phenyl group; the dihedral angle between the rings is 52.32?(11)°. The structure of the title compound reveals a Z configuration with respect to the C=C double bond in the amino-acrylate fragment. A bifurcated intramolecular N-H?(O,F) hydrogen bond occurs. In the crystal, molecules are linked into chains by C-H?O hydrogen bonds.

| S-EPMC3009196 | biostudies-literature

(E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(20)H(22)O(6), the dihedral angle between the mean planes of the benzene rings is 15.77?(6)°. The H atoms of the central C=C double bond are in a trans configuration. There are a number of C-H?O interactions and a C-H?? interaction present in the crystal structure.

| S-EPMC3254497 | biostudies-literature

2-Eth-oxy-ethyl (Z)-2-cyano-3-[(N-phenyl-carbamo-yl)amino]-prop-2-enoate.

Project description:The crystal structure of the title compound, C(15)H(17)N(3)O(4), is stabilized by inter-molecular N-H⋯N hydrogen bonds. An intra-molecular N-H⋯O hydrogen bond also occurs.

| S-EPMC3274966 | biostudies-literature

(E)-1-(3,5-Difluoro-phen-yl)-3-(2,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(17)H(14)F(2)O(3), is approximately planar, the dihedral angle between the rings being 5.46?(2)°. The H atoms of the central propenone group are trans. The crystal structure is stabilized by inter-molecular C-H?F hydrogen bonds.

| S-EPMC2983274 | biostudies-literature

Bis(2,4-dimeth-oxy-phen-yl)(phen-yl)phosphine selenide.

Project description:In the title mol-ecule, C(22)H(23)O(4)PSe, the P atom has a distorted tetra-hedral environment formed by the selenide atom [P=Se = 2.1219?(5)?Å] and three aryl rings. The orientations of the meth-oxy groups in the two 2,4-dimeth-oxy-phenyl ligands are distinct, as seen from the torsion angles: C-C-O-C = 14.7?(3) and 175.97?(17)° in one ligand, and -9.1?(2) and 5.1?(3)° in the other. In the crystal, weak inter-molecular C-H?Se inter-actions link the mol-ecules into zigzag chains propagated in [010].

| S-EPMC3050267 | biostudies-literature

1-{(1Z)-1-[3-(2,4-Dichloro-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazole.

Project description:In the title compound, C(20)H(17)Cl(2)F(2)N(3)O(2), the triazole ring makes dihedral angles of 28.0?(3) and 72.5?(2)° with the 2,4-dichloro-pheny and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z-conformation about the C=C double bond. In the crystal, C-H?O and C-H?N hydrogen bonds link the mol-ecules.

| S-EPMC3379359 | biostudies-literature

(E)-2-Cyano-3-(2,3-dimeth-oxy-phen-yl)acrylic acid.

Project description:The asymmetric unit of the title compound, C(12)H(11)NO(4), contains two mol-ecules. In the crystal, neighbouring mol-ecules are linked together by O-H?O hydrogen bonds into dimers. The dimers are arranged into columns parallel to the a axis, meditated by ?-? inter-actions [centroid-centroid distances = 3.856?(3) and 3.857?(3)?Å]. The crystal structure is further stabilized by weak inter-molecular C-H?O inter-actions. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.657?(11):0.343?(11).

| S-EPMC3239130 | biostudies-literature

(3-Ethyl-6,7-dimeth-oxy-naphthalen-1-yl)(phen-yl)methanone.

Project description:The asymetric unit of the title mol-ecule, C(21)H(20)O(3), contains two crystallographically independent mol-ecules, A and B, which differ in the orientation of the ethyl group substituted on the naphthalene system; the dihedral angles between the ethyl group and the naphthalene system are 7.4?(3) and 68.1?(3)°, respectively, for mol-ecules A and B. The dihedral angles between the benzoyl and naphthalene groups are 64.7?(7) and 69.4?(8)°, respectively, for mol-ecules A and B. The crystal structure features four aromatic ?-? stacking interactions [centroid-centroid distances = 4.181?(1), 3.891?(1), 4.423?(1) and 4.249?(1)?Å].

| S-EPMC3295444 | 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