Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(3E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(17)NO(2), contains two crystallographically independent mol-ecules. Both mol-ecules adopt a trans configuration about the C=C bond, with the C-C=C-C fragments in the two mol-ecules twisted in opposite directions [torsion angles of 174.2?(2) and -175.8?(2)°]. The two benzene rings in each of the mol-ecules make dihedral angles of 20.21?(6) and 48.64?(4)°. In the crystal, adjacent mol-ecules are linked by O-H?O hydrogen bonds into infinite polymeric chains.

SUBMITTER: Hasan A

PROVIDER: S-EPMC3006762 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(3E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Hasan Aurangzeb A Akhtar Nadeem N Lajis Nordin Hj NH Rusli Aqilah Fasihah Binti AF Lo Kong Mun KM

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

The asymmetric unit of the title compound, C(17)H(17)NO(2), contains two crystallographically independent mol-ecules. Both mol-ecules adopt a trans configuration about the C=C bond, with the C-C=C-C fragments in the two mol-ecules twisted in opposite directions [torsion angles of 174.2 (2) and -175.8 (2)°]. The two benzene rings in each of the mol-ecules make dihedral angles of 20.21 (6) and 48.64 (4)°. In the crystal, adjacent mol-ecules are linked by O-H⋯O hydrogen bonds into infinite polymeri ...[more]

PMID: 21588017

Similar Datasets

(E)-1-(5-Bromo-2-hy-droxy-phen-yl)-3-[4-(dimethyl-amino)-phen-yl]prop-2-en-1-one.

Project description:In the title compound, C(17)H(16)BrNO(2), the two benzene rings make a dihedral angle of 7.4 (3)°; the hy-droxy group links to the carbonyl group via an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into a supra-molecular chain running along the c axis.

| S-EPMC3344563 | biostudies-literature

(E)-1-(2,5-Dimethyl-3-thien-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(14)O(2)S, the dihedral angle between the aromatic rings is 8.46 -(8)°. The central enone group is planar (r.m.s. deviation = 0.0267 Å) and is oriented at a dihedral angle of 1.20 (9)° with respect to the benzene ring and at 8.27 (9)° with respect to the thio-phene group. In the crystal, the mol-ecules are linked into polymeric chains extending along the b axis due to inter-molecular O-H⋯O hydrogen bonding. An S(6) ring motif is formed due to a short intra-molecular C-H⋯O contact. C-H⋯π inter-actions involving a methyl group of the 2,5-dimethyl-thienyl group and the benzene ring are present. π-π inter-actions between the centroids of the benzene and heterocyclic rings [3.7691 (9) Å] also occur.

| S-EPMC3007990 | biostudies-literature

(E)-3-(4-Hy-droxy-3-meth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, there is an intra-molecular O-H?O hydrogen bond. The benzene rings are inclined to one another by 13.89?(9)°. The prop-2-en-1-one group is twisted slightly, the O=C-Car-Car (ar = aromatic) and C=C-C=O torsion angles being -10.4?(3) and -7.4?(3)°, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains along [100]. These chains are further linked by O-H?O hydrogen bonds, forming corrugated sheets lying parallel to (010). There are C-H?? inter-actions present within the sheets.

| S-EPMC4011235 | biostudies-literature

(2E)-1-(3,4-Dichloro-phen-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)Cl(2)O(2), the dihedral angle between the mean planes of the two benzene rings is 7.7?(6)°. The crystal packing is influenced by O-H?O hydrogen bonds, which form chains along [010]. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.6697?(13)?Å] are observed, which may contribute to the crystal packing stability.

| S-EPMC3275046 | biostudies-literature

(2E)-3-(4-Chloro-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(11)ClO(2), the dihedral angle between the mean planes of the chloro-benzene and hy-droxy-benzene rings is 6.5 (6)°. The mean plane of the prop-2-en-1-one group makes an angle of 18.0 (1)° with the hy-droxy-phenyl ring and 11.5 (1)° with the chloro-phenyl ring. The crystal packing is stabilized by inter-molecular O-H⋯O hydrogen bonds, weak C-H⋯O, C-H⋯π and π-π stacking inter-actions [centroid-centroid distances = 3.7771 (7) and 3.6917 (7) Å].

| S-EPMC3099984 | biostudies-literature

N-[3-(Dimethyl-amino)-prop-yl]-N'-(2-hy-droxy-5-methyl-phen-yl)oxamide.

Project description:In the title compound, C(14)H(21)N(3)O(3), the oxamide group has a transoid conformation. In the crystal, the mol-ecules are connected by N-H⋯O and O-H⋯N hydrogen bonds into a double chain running along the b axis.

| S-EPMC3297941 | biostudies-literature

(E)-3-(4-Chloro-phen-yl)-1-(5-hy-droxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(20)H(17)ClO(3), each having an E configuration about the -C=C- bond. The dihedral angles between the two benzene rings in the two mol-ecules are 7.17 (11) and 9.82 (11)°. In both mol-ecules, the hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond.

| S-EPMC3274975 | biostudies-literature

(E)-3-Ferrocenyl-1-(2-hy-droxy-phen-yl)-prop-2-en-1-one.

Project description:The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(14)H(11)O(2))] consists of a ferrocenyl and 2-hy-droxy-phenyl group linked through the prop-2-en-1-one spacer and is stabilized by an intra-molecular O-H⋯O hydrogen bond between the hydroxyl and the carbonyl groups.

| S-EPMC3007011 | biostudies-literature

(E)-1-[4-(Hex-yloxy)phen-yl]-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(21)H(24)O(3), the enone moiety adopts an s-cis conformation and the dihedral angle between the benzene rings is 12.89?(6)°. The hex-yloxy tail adopts an extended conformation. In the crystal, inversion dimers are linked by pairs of O-H?O hydrogen bonds and pairs of C-H?O inter-actions, forming two R(2) (2)(7) and one R(2) (2)(10) loops. The dimers are then arranged into sheets lying parallel to (201) and weak C-H?? inter-actions consolidate the packing.

| S-EPMC3470257 | biostudies-literature

(2E)-3-[3-(Benz-yloxy)phen-yl]-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(22)H(18)O(3), an intra-molecular O-H?O hydrogen bond stabilizes the mol-ecular structure, forming an S(6) ring motif. The central benzene ring forms a dihedral angle of 64.74?(5)° with the phenyl ring and a dihedral angle of 5.58?(5)° with the terminal benzene ring. In the crystal, mol-ecules are linked into columns along the a axis via inter-molecular C-H?O hydrogen bonds. C-H?? inter-actions involving the centroid of the hy-droxy-substituted benzene ring further stabilize the crystal structure.

| S-EPMC3120523 | 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