Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2,2'-[3-(4-Fluoro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

ABSTRACT: In the title compound, C25H29FO4, each cyclo-hexenone ring has an envelope conformation with the dimethyl-substituted atom as the flap. The hy-droxy and carbonyl groups form two intra-molecular O-H?O hydrogen bonds, as is typical for xanthene derivatives. In the crystal, very weak C-H?O hydrogen bonds link mol-ecules into dimers.

SUBMITTER: Cha JH

PROVIDER: S-EPMC3588420 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2,2'-[3-(4-Fluoro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Cha Joo Hwan JH Min Sun-Joon SJ Cho Yong Seo YS Lee Jae Kyun JK Park Junghwan J

Acta crystallographica. Section E, Structure reports online 20130220 Pt 3

In the title compound, C25H29FO4, each cyclo-hexenone ring has an envelope conformation with the dimethyl-substituted atom as the flap. The hy-droxy and carbonyl groups form two intra-molecular O-H⋯O hydrogen bonds, as is typical for xanthene derivatives. In the crystal, very weak C-H⋯O hydrogen bonds link mol-ecules into dimers. ...[more]

PMID: 23476580

Similar Datasets

2,2'-[(E)-3-(4-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(25)H(29)NO(6), each of the cyclo-hexenone rings adopts a half-chair conformation. The hy-droxy and carbonyl O atoms face each other and are oriented to allow for the formation of two intra-molecular O-H⋯O hydrogen bonds. In the crystal, weak C-H⋯O hydrogen bonds are formed between molecules, generating a two-dimensional supramolecular structure.

| S-EPMC3414961 | biostudies-literature

(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(25)H(29)NO(6), each of the cyclo-hexenone rings adopts a half-chair conformation. Each of the pairs of hy-droxy and carbonyl O atoms are oriented to allow for the formation of intra-molecular O-H⋯O hydrogen bonds, which are typical of xanthene derivatives. The nitro group is rotationally disordered over two orientations in a 0.544 (6):0.456 (6) ratio. In the crystal, weak inter-molecualr C-H⋯O hydrogen bonds link mol-ecules into layers parallel to the ab plane.

| S-EPMC3238826 | biostudies-literature

(E)-2,2'-[3-(4-Chloro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one).

Project description:The title compound, C25H29ClO4, adopts a trans conformation about the C=C double bond and the di-methyl-cyclo-hexenone rings both show an envelope conformation with the dimethyl-substituted C atom as the flap. In the mol-ecule, the hy-droxy and carbonyl groups form two intra-molecular O-H⋯O hydrogen bonds typical for xanthene derivatives. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains running parallel to the a-axis direction.

| S-EPMC3793826 | biostudies-literature

2,2-[(E)-3,3-Diphenyl-prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(27)H(26)O(4), each of the cyclo-hexenone rings adopts a half-chair conformation. The dihedral angle between the two phenyl rings is 89.53 (5)°. The hy-droxy and carbonyl O atoms face each other and are orientated to allow the formation of two intra-molecular O-H⋯O hydrogen bonds, which are typical of xanthene derivatives.

| S-EPMC3239045 | biostudies-literature

(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(21)H(21)NO(6), each of the cyclo-hexenone rings adopts a half-chair conformation. Each of the pairs of hy-droxy and carbonyl O atoms are oriented to allow for the formation of intra-molecular O-H?O hydrogen bonds, which are typical of xanthene derivatives.

| S-EPMC3254576 | biostudies-literature

2,2'-[(1E)-3-Phenyl-prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Project description:In the title mol-ecule, C(25)H(30)O(4), the two cyclo-hexene rings adopt envelope conformations. The two hy-droxy groups are involved in the formation of intra-molecular O-H?O hydrogen bonds. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules related by translation along the axis a into chains.

| S-EPMC3200888 | biostudies-other

(E)-3-Hy-droxy-5,5-dimethyl-2-(3-phenyl-prop-2-en-1-yl)cyclo-hex-2-en-1-one.

Project description:Five of the atoms of the six-membered cyclo-hexene ring of the title compound, C(17)H(20)O(2), are essentially coplanar (r.m.s. deviation = 0.006?Å), with the sixth (the dimethyl-methyl C atom) deviating from the mean plane of the five atoms by 0.610?(2)?Å. This plane is nearly perpendicular to the cinnamyl portion, the two planes being aligned at 85.1?(1)°. Two mol-ecules are linked by an O-H?O hydrogen bond about a center of inversion. The cyclo-hexene ring is disordered over two directly overlapping positions. As a result, the hy-droxy group and the keto O atom cannot be distinguished from one another.

| S-EPMC3200708 | biostudies-literature

2,2'-[(4-Eth-oxy-phen-yl)methyl-ene]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(25)H(32)O(5), the two cyclo-hexenone rings have envelope conformations with the C atom bearing two methyl groups as the flap atom in each ring. Relatively strong intra-molecular O-H⋯O hydrogen bonds are observed.

| S-EPMC3435667 | 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

3-[(1-Hy-droxy-1-phenyl-propan-2-yl)amino]-5,5-dimethyl-cyclo-hex-2-enone.

Project description:The asymmetric unit of the title compound, C(17)H(23)NO(2), consists of two crystallographically independent mol-ecules (A and B). The cyclo-hexene rings in both mol-ecules adopt an envelope conformation. In the crystal, independent mol-ecules, A and B, are each linked by inter-molecular bifurcated (N,O)-H⋯O hydrogen bonds, generating R(2) (1)(7) ring motifs and forming infinite chains along the b axis.

| S-EPMC3344556 | 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