Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(21)H(24)O(3), inter-molecular O-H?O and C-H?O inter-actions form bifurcated acceptor bonds, generating R(2) (1)(6) ring motifs. These ring motifs link the mol-ecules into extended chains along [010]. The crystal structure is further stabilized by C-H?? inter-actions.

SUBMITTER: Ngaini Z

PROVIDER: S-EPMC3050273 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Ngaini Zainab Z Fadzillah Siti Muhaini Haris SM Hussain Hasnain H Razak Ibrahim Abdul IA Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101218 Pt 1

In the title compound, C(21)H(24)O(3), inter-molecular O-H⋯O and C-H⋯O inter-actions form bifurcated acceptor bonds, generating R(2) (1)(6) ring motifs. These ring motifs link the mol-ecules into extended chains along [010]. The crystal structure is further stabilized by C-H⋯π inter-actions. ...[more]

PMID: 21522676

Similar Datasets

(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

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

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(21)H(24)O(3), in which the dihedral angles between the aromatic rings are 6.4?(1) and 7.0?(1)°. The enone moiety of both mol-ecules adopts an s-cis configuration. In the crystal, inter-molecular O-H?O and C-H?O inter-actions to the same acceptor O atom generate R(2) (1)(6) ring motifs and further C-H?O inter-actions generate R(2) (2)(8) ring motifs. Topologically, the R(2) (1)(6) and R(2) (2)(8) ring motifs are arranged alternately, forming [001] chains of mol-ecules. The crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC3011598 | 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

3-Hy-droxy-2-[(2E)-1-(2-hy-droxy-6-oxocyclo-hex-1-en-1-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-yl]cyclo-hex-2-en-1-one.

Project description:In the title compound, C(22)H(24)O(5), each of the cyclo-hexenone rings adopts a half-chair conformation. The hy-droxy and carbonyl O atoms face each other and are orientated to allow for the formation of the two intra-molecular O-H?O hydrogen bonds which are typical of xanthene derivatives. In the crystal, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into layers parallel to the ab plane.

| S-EPMC3201272 | biostudies-literature

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

Project description:In the title compound, C(21)H(24)O(3), the conformation of the enone group is s-cis. The benzene rings are inclined at an angle of 7.9?(1)°. The alk-oxy tail is planar, with a maximum deviation from the least-squares plane of 0.009?(2)?Å, and adopts a trans conformation throughout. An intra-molecular O-H?O inter-action between the keto and hydr-oxy groups forms S(6) ring motifs. In the crystal, mol-ecules are arranged in a head-to-tail manner down the a axis and are subsequently stacked along the b axis, forming mol-ecular sheets parallel to the ab plane. The crystal structure is further stabilized by weak C-H?? inter-actions and short C?O [3.376?(2)?Å] contacts.

| S-EPMC2969631 | biostudies-literature

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

Project description:In the title compound, C(21)H(24)O(3), the enone group adopts an s-cis conformation. The planes of the aromatic rings are inclined at an angle of 6.1?(1)°. The alk-oxy tail is not linear, with the maximum deviation from the least-squares plane being 0.375?(2)?Å. Mol-ecules are connected into extended chains along the a axis through O-H?O(carbon-yl) hydrogen bonds and are inter-linked via C-H?O inter-actions to form a two-dimensional array parallel to the ab plane.

| S-EPMC2969694 | 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

3-Hy-droxy-2-[(2-hy-droxy-4,4-dimethyl-6-oxocyclo-hex-1-en-1-yl)(3-nitro-phen-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

Project description:Each of the cyclohexenone rings in the title compound, C(23)H(27)NO(6), adopts a half-chair (envelope) conformation with the C atom carrying the methyl groups lying out of the plane defined by the five remaining C atoms; the O atoms lie to the same side of the mol-ecule as the respective >C(CH(3))(2) atoms. The hy-droxy and carbonyl O atoms face each other and are orientated to allow for the formation of two intra-molecular O-H?O hydrogen bonds. In the crystal, the presence of C-H?O contacts leads to the formation of supra-molecular chains along the b axis. These aggregate into layers that stack along c.

| S-EPMC3009059 | biostudies-literature

3-Hy-droxy-2-[(4-hy-droxy-3,5-dimeth-oxy-phen-yl)(2-hy-droxy-4,4-dimethyl-6-oxo-cyclo-hex-1-en-1-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

Project description:In the title compound, C(25)H(32)O(7), the 3-hy-droxy-5,5-dimethyl-cyclo-hex-2-enone rings adopt slightly distorted envelope conformations with the two planes at the base of the envelope forming dihedral angles of 57.6?(4) and 53.9?(9)° with the benzene ring. There is an intra-molecular hy-droxy-ketone O-H?O inter-action between the two substituted cyclo-hexane rings as well as a short intra-molecular phenol-meth-oxy O-H?O inter-action.

| S-EPMC3051563 | 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?? and ?-? stacking inter-actions [centroid-centroid distances = 3.7771?(7) and 3.6917?(7)?Å].

| S-EPMC3099984 | 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