Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title mol-ecule, C18H18O4, the dihedral angle between the benzene rings is 52.52?(7)°. The C=C bond of the central enone group adopts a trans conformation. The relative conformation of the two double bonds in the enone group is s-transoid. In the crystal, mol-ecules are linked by pairs of weak C-H?O hydrogen bonds, forming inversion dimers.

SUBMITTER: Lim Y

PROVIDER: S-EPMC3629573 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Lim Yoongho Y Koh Dongsoo D

Acta crystallographica. Section E, Structure reports online 20130309 Pt 4

In the title mol-ecule, C18H18O4, the dihedral angle between the benzene rings is 52.52 (7)°. The C=C bond of the central enone group adopts a trans conformation. The relative conformation of the two double bonds in the enone group is s-transoid. In the crystal, mol-ecules are linked by pairs of weak C-H⋯O hydrogen bonds, forming inversion dimers. ...[more]

PMID: 23634060

Similar Datasets

(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

(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

(2E)-1-(3,5-Di-hydroxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, the benzene rings are inclined to one another by 4.91?(7)°. The conformation about the C=O and C=C bonds is trans and cis, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via O-H?O and C-H?O hydrogen bonds, forming undulating two-dimensional networks lying parallel to (10-1). These networks are linked by further C-H?O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC4011220 | biostudies-literature

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

Project description:In the title mol-ecule, C21H18O4, the C=C bond of the central enone group adopts a trans conformation. The dihedral angle formed by the naphthalene ring system and the benzene ring is 2.97 (11)°. The hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [001].

| S-EPMC3588993 | 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

3-(2-Chloro-3-hy-droxy-4-meth-oxy-phen-yl)-1-(4,5-dimeth-oxy-2-methyl-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(19)H(19)ClO(5), is a chloro derivative of a biologically significant chalcone family. The mean plane of the two substituted benzene rings are twisted by 55.33?(8)° with respect to each other. An intra-molecular C-H?Cl hydrogen bond generates an S(5) graph-set motif. In the crystal, a bifurcated O-H?(O,O) hydrogen bond leads to an R(1) (2)(5) graph-set motif and to the formation of zigzag chains propagating along the c-axis direction. A weak ?-? inter-action involving the methyl-phenyl rings [centroid-centroid distance = 3.8185?(10)?Å] and C-H?? inter-actions also occur.

| S-EPMC3470302 | biostudies-literature

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

Project description:In the title mol-ecule, C18H18O4, the C=C bond of the central enone group adopts a trans conformation. The relative conformation of the C=O and C=C bonds is s-cisoid. The dihedral angle between the planes of the benzene rings is 29.49?(12)°. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into chains along [010].

| S-EPMC3647862 | biostudies-other

(E)-1-(2-Hy-droxy-4,6-dimeth-oxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one from Kaempferia rotunda Val.

Project description:The planar -CH=CHC(=O)- fragment (r.m.s. deviation = 0.074?Å) in the title compound, C(18)H(18)O(5), connects the planar hy-droxy-dimeth-oxy-phenyl (r.m.s. deviation = 0.039?Å) and meth-oxy-lphenyl (r.m.s. deviation = 0.021?Å) parts. The central fragment forms a dihedral angle of 13.7?(1)° with the hy-droxy-dimeth-oxy-phenyl part and 32.0?(1)° with the meth-oxy-phenyl part. The hy-droxy group forms an intra-molecular hydrogen bond to the carbonyl O atom.

| S-EPMC3009218 | biostudies-literature

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

Project description:The title compound, C(17)H(15)BrO(3), is a chalcone with the 2-bromo-phenyl and 2,5-dimeth-oxy-phenyl rings bonded at opposite ends of a propene group. The dihedral angle between the mean planes of the ortho-bromo and ortho,meta-dimeth-oxy-substituted benzene rings is 77.3?(1)°. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo-phenyl and 2,5-dimeth-oxy-phenyl rings are 58.6?(1) and 30.7?(4)°, respectively. Weak C-H?O, C-H?Br and ?-? stacking inter-molecular inter-actions [centroid-centroid distance = 3.650?(2)?Å] are present in the structure.

| S-EPMC3007330 | 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

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