Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-3-(4-Decyl-oxyphen-yl)-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(25)H(32)O(3), the enone group is in an s-cis configuration. The dihedral angle between the benzene rings is 8.84?(7)°. An intra-molecular O-H?O inter-action between the keto and hydr-oxy groups forms an S(6) ring motif. Inter-molecular C-H?O inter-actions link the mol-ecules into supra-molecular chains along the c axis which are subsequently stacked down the b axis; the crystal structure is further consolidated by C-H?? inter-actions.

SUBMITTER: Ngaini Z

PROVIDER: S-EPMC2968804 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-3-(4-Decyl-oxyphen-yl)-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Ngaini Zainab Z Rahman Norashikin Irdawaty Abd NI Hussain Hasnain H Razak Ibrahim Abdul IA Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20090328 Pt 4

In the title compound, C(25)H(32)O(3), the enone group is in an s-cis configuration. The dihedral angle between the benzene rings is 8.84 (7)°. An intra-molecular O-H⋯O inter-action between the keto and hydr-oxy groups forms an S(6) ring motif. Inter-molecular C-H⋯O inter-actions link the mol-ecules into supra-molecular chains along the c axis which are subsequently stacked down the b axis; the crystal structure is further consolidated by C-H⋯π inter-actions. ...[more]

PMID: 21582598

Similar Datasets

(E)-3-(4-Hexyl-oxyphen-yl)-1-(3-hydroxy-phen-yl)prop-2-en-one.

Project description:In the title compound, C(21)H(24)O(3), the enone unit is in the s-cis configuration. The dihedral angle between the benzene rings is 2.18 (4)°. In the crystal, mol-ecules are linked by pairs of O-H⋯O inter-molecular hydrogen bonds, forming inversion dimers. The crystal structure is also consolidated by C-H⋯π inter-actions.

| S-EPMC2968884 | biostudies-literature

(E)-1-(4-Decyl-oxyphen-yl)-3-(4-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(25)H(32)O(3), the asymmetric unit contains two crystallographically independent mol-ecules: both enone groups adopt an s-cis configuration. In the crystal, O-H⋯O and C-H⋯O inter-molecular inter-actions form bifurcated hydrogen bonds, which generate R(1) (2)(6) ring motifs. These inter-molecular inter-actions link the mol-ecules into one-dimensional chains along the [10] direction. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC2969075 | biostudies-literature

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

Project description:In the title compound, C(25)H(32)O(3), the enone group adopts an s-cis conformation. The alk-oxy chain is in an all-trans conformation. The dihedral angle between the benzene rings is 7.86?(5)°. In the crystal, mol-ecules are connected by pairs of O-H?O hydrogen bonds, forming inversion dimers and giving R(2) (2)(10) rings. Within these dimers, weak C-H?O hydrogen bonds form two R(2) (2)(7) rings. In the crystal, the approximately planar mol-ecules [largest deviation for an atom being 0.4737?(12)?Å for the terminal C atom of the alk-oxy chain] are arranged in sheets parallel to (20-1). Weak C-H?? inter-actions are also observed.

| S-EPMC3470309 | biostudies-literature

(2E)-3-(3-Benzyl-oxyphen-yl)-1-(2-hydroxy-5-methyl-phen-yl)prop-2-en-1-one.

Project description:In the mol-ecule of the title compound, C(23)H(20)O(3), an intra-molecular O-H?O hydrogen bond generates an S(6) ring. The central benzene ring makes dihedral angles of 80.17?(8) and 16.99?(7)°, respectively, with the benz-yloxy and hy-droxy-methyl phenyl rings. In the crystal, mol-ecules are linked via inter-molecular C-H?O hydrogen bonds to form dimers. The dimers are connected by C-H?O hydrogen bonds and C-H?? inter-actions to form columns down the b axis.

| S-EPMC3120564 | biostudies-other

(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-(Dodec-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(27)H(36)O(3), the asymmetric unit consists of two crystallographically independent mol-ecules. The aromatic rings form dihedral angles of 17.1 (2) and 17.6 (2)° in the two molecules. In both mol-ecules, the enone groups adopt an s-cis conformation and the alkoxyl chains are in trans conformations curving out of the zigzag plane. Intra-molecular O-H⋯O hydrogen bonds involving the keto and hydr-oxy groups generate S(6) ring motifs. The mol-ecules are stacked alternately in a head-to-tail fashion along the a axis and the crystal structure is stabilized by weak C-H⋯π inter-actions. The crystal studied was a non-merohedral twin, the ratio of components being 0.788 (2):0.212 (2).

| S-EPMC2977806 | biostudies-literature

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

Project description:In the title compound, C(25)H(32)O(3), the enone group adopts an s-cis conformation. The alk-oxy unit is nearly planar and is in a trans conformation. The two benzene rings make a dihedral angle of 18.87 (9)°. In the crystal structure, mol-ecules are linked into chains running along the a axis by inter-molecular O-H⋯O hydrogen bonds involving the hydr-oxy and keto groups. The chains are crosslinked along the b axis via C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the ab plane.

| S-EPMC2977771 | biostudies-literature

(E)-3-(2-Fur-yl)-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(13)H(10)O(3), an intra-molecular O-H⋯O hydrogen bond influences the mol-ecular conformation, and the benzene and furan rings form a dihedral angle of 8.35 (7)°. Weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into sheets parallel to the bc plane.

| S-EPMC2959741 | 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

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