Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Methyl-5-(3-phenoxy-phen-yl)cyclo-hex-2-enone.

ABSTRACT: In the title mol-ecule, C(19)H(18)O(2), the cyclo-hexene ring adopts an envelope conformation, with all substituents equatorial. The dihedral angle between the benzene and phenyl rings is 83.75?(16)°. No classical hydrogen bonds are found in the crystal structure.

SUBMITTER: Mohan RT

PROVIDER: S-EPMC2961611 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Methyl-5-(3-phenoxy-phen-yl)cyclo-hex-2-enone.

Mohan R T Sabapathy RT Kamatchi S S Subramanyam M M Thiruvalluvar A A Linden A A

Acta crystallographica. Section E, Structure reports online 20080510 Pt 6

In the title mol-ecule, C(19)H(18)O(2), the cyclo-hexene ring adopts an envelope conformation, with all substituents equatorial. The dihedral angle between the benzene and phenyl rings is 83.75 (16)°. No classical hydrogen bonds are found in the crystal structure. ...[more]

PMID: 21202545

Similar Datasets

3-Methyl-5-(4-methyl-phen-yl)cyclo-hex-2-enone.

Project description:In the title mol-ecule, C(14)H(16)O, the cyclo-hexene ring adopts an envelope conformation, with all substituents equatorial. Mol-ecules are linked by C-H⋯O hydrogen bonds. A C-H⋯π inter-action involving the benzene ring is also found in the crystal structure. The H atoms of both methyl groups are disordered equally over two positions.

| S-EPMC2961522 | biostudies-literature

3-[(E)-2-(2-Meth-oxy-phen-yl)vin-yl]-5,5-di-methyl-cyclo-hex-2-enone.

Project description:The title compound, C17H20O2, has an E conformation about the bridging C=C bond. The cyclo-hexene ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. Its mean plane makes a dihedral angle of 7.20?(12)° with the benzene ring. In the crystal, neighbouring mol-ecules are connected via C-H?O hydrogen bonds, forming chains running along the a-axis direction.

| S-EPMC4011279 | biostudies-literature

5,5-Bis(hydroxy-meth-yl)-3-methyl-cyclo-hex-2-enone.

Project description:In the title compound, C(9)H(14)O(3), the cyclo-hexenone ring has an envelope conformation; the flap atom (with the hydroxy-methyl groups attached) is displaced by 0.582?(4)?Å from the plane of the other five ring atoms. The crystal structure contains an inter-molecular O-H?O hydrogen-bonded ring.

| S-EPMC2960602 | biostudies-literature

(4-Meth-oxy-phen-yl)(4-methyl-cyclo-hex-yl)methanone.

Project description:The title compound, C(15)H(20)O(2), crystallizes with two independent mol-ecules of similar geometry in the asymmetric unit. The cyclo-hexyl ring adopts a chair conformation in each mol-ecule. In the crystal, mol-ecules related by translation are linked into chains along the a axis via weak C-H?O inter-actions.

| S-EPMC3470209 | biostudies-literature

3-Anilino-5,5-di-methyl-cyclo-hex-2-enone.

Project description:In the title mol-ecule, C14H17NO, the 5,5-di-methyl-cyclo-hex-2-enone moiety is attached to an aniline group, the dihedral angle subtended [54.43 (3)°] indicating a significant twist. The hexaneone ring has a half-chair conformation with the C atom bearing two methyl groups lying 0.6384 (8) Å above the plane of the five remaining atoms (r.m.s. deviation = 0.0107 Å). The crystal packing can be described as alternating layers parallel to (-101), which are consolidated by N-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3998468 | biostudies-literature

Crystal structure of (R)-5-[(R)-3-(4-chloro-phen-yl)-5-methyl-4,5-di-hydro-isoxazol-5-yl]-2-methyl-cyclo-hex-2-enone.

Project description:The title compound, C17H18ClNO2, was prepared and isolated as a pure diastereoisomer, using column chromatography followed by a succession of fractional crystallizations. Its exact structure was fully identified via 1H NMR and confirmed by X-ray diffraction. It is built up from a central five-membered di-hydro-isoxazole ring to which a p-chloro-phenyl group and a cyclo-hex-2-enone ring are attached in the 3 and 5 positions. The cyclo-hex-2-one and isoxazoline rings each exhibit an envelope conformation. The crystal packing features C-H⋯O, C-H⋯N and C-H⋯π inter-actions, which generate a three-dimensional network.

| S-EPMC7057358 | biostudies-literature

(R)-2-Methyl-5-[(R)-2,4,4,4-tetra-chloro-butan-2-yl]cyclo-hex-2-enone.

Project description:The title compound, C(11)H(14)Cl(4)O, was efficiently synthesized by atom-transfer radical addition between (R)-carvone and tetra-chloro-methane. In the mol-ecule, both chiral centres are of the absolute configuration R. The cyclo-hex-2-enone ring has an envelope conformation with the chiral C atom displaced by 0.633?(2)?Å from the mean plane through the other five C atoms [maximum deviation = 0.036?(2)?Å]. In the crystal, mol-ecules are linked via C-H?O inter-actions, leading to the formation of helical chains propagating along [100].

| S-EPMC3414363 | biostudies-literature

4-Di-chloro-methyl-4-methyl-5-(nitro-meth-yl)cyclo-hex-2-enone.

Project description:In the title compound, C9H11Cl2NO3, the six-membered ring adopts a screw-chair conformation. In the crystal, two different C-H?O hydrogen bonds involving the same acceptor atom connect the mol-ecules into a chain extending along the c-axis direction.

| S-EPMC3884307 | biostudies-other

2-Isopropyl-5-methyl-cyclo-hexyl cyclo-hex-yl(phen-yl)phosphinate.

Project description:In the title mol-ecule, C(22)H(35)O(2)P, the two cyclo-hexyl rings exhibit chair conformations. In the crystal, mol-ecules related by translation along the b axis are linked by the weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3099872 | biostudies-other

5-(4-Methyl-phen-yl)-3-phenyl-cyclo-hex-2-en-1-one.

Project description:In the title compound, C(19)H(18)O, the cyclo-hexene ring has an envelope conformation with the methine C atom on the flap. The phenyl and methyl-phenyl rings form a dihedral angle of 85.93 (11)°. The crystal packing is consolidated by van der Waals forces and weak C-H⋯π inter-actions.

| S-EPMC3393964 | 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