Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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?? inter-actions.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3393964 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Mohamed Shaaban K SK Akkurt Mehmet M Abdelhamid Antar A AA Singh Kuldip K Allah Omyma A A Abd OA

Acta crystallographica. Section E, Structure reports online 20120620 Pt 7

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. ...[more]

PMID: 22798829

Similar Datasets

2-(4-Chloro-phen-yl)-5-(cyclo-hex-1-en-1-yl)-3-(4-methyl-phenyl-sulfon-yl)-1-phenyl-imidazolidin-4-one.

Project description:In the title compound, C(28)H(27)ClN(2)O(3)S, the central imidazolidine ring adopts an envelope conformation with the C atom bearing the chloro-phenyl ring at the flap. The geometry around the S atom is distorted tetra-hedral. Three methyl-ene groups of the cyclo-hexene ring are disordered over two sets of sites [site occupancies = 0.562?(10) and 0.438?(10)]. The crystal packing is stabilized by C-H?? inter-actions.

| S-EPMC3213516 | biostudies-literature

(Z)-3-(4-Methyl-phen-yl)-2-[(2-phenyl-cyclo-hex-2-en-1-yl)imino]-1,3-thia-zol-idin-4-one.

Project description:The title compound, C(22)H(22)N(2)OS, exists in a cis conformation with respect to the N=C bond. The cyclo-hexene ring adopts a distorted sofa conformation. The thia-zolidine ring is essentially planar with a maximum deviation of 0.025?(2)?Å and forms dihedral angles of 63.50?(7) and 57.52?(6)° with the benzene rings. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds, generating R(2) (2)(8) ring motifs, and forming infinite chains along the c axis. The crystal is further consolidated by C-H?? inter-actions.

| S-EPMC3379373 | biostudies-literature

Crystal structure of 5-(4-methyl-phen-yl)-3-[(E)-2-(4-methyl-phen-yl)ethen-yl]cyclo-hex-2-en-1-one.

Project description:In the title compound, C22H22O, the dihedral angle between the planes of the benzene rings is 53.55?(7)°. Weak C-H?O inter-actions help to direct the packing, forming sheets lying parallel to (020).

| S-EPMC4459340 | biostudies-literature

3-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-5,5-di-methyl-cyclo-hex-2-en-1-one.

Project description:In the title compound, C16H17ClO, the cyclo-hexene ring adopts a half-chair conformation and the best plane through the six ring atoms makes a dihedral angle of 6.69?(7)° with the chlorophenyl ring. In the crystal, pairs of C-H?O hydrogen bonds link the mol-ecules into centrosymmetric R 2 (2)(20) dimers. The dimers are linked into an infinite chains along the b-axis direction by further C-H?O hydrogen bonds.

| S-EPMC3770391 | biostudies-literature

2-(4-Methyl-cyclo-hex-3-en-yl)propan-2-yl N-phenyl-carbamate.

Project description:In the title carbamate compound, C(17)H(23)NO(2), one of the Csp(3) atoms of the cyclo-hexene ring is disordered over two sites with refined occupancies of 0.55?(2) and 0.45?(2), both disorder components resulting in half-boat conformations. The mean plane through the carbamate unit is inclined at inter-planar angles of 14.80?(13), 18.30?(17) and 24.0?(2)°, respectively, with respect to the phenyl ring, and the major and minor disorder component cyclo-hexene rings. In the crystal structure, adjacent mol-ecules are linked into chains along [001] via inter-molecular N-H?O hydrogen bonds. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

| S-EPMC3007260 | biostudies-literature

(Z)-3-(4-Chloro-phen-yl)-2-(2-phenyl-cyclo-hex-2-en-1-yl-imino)-thia-zolidin-4-one.

Project description:The title compound, C(21)H(19)ClN(2)OS, exists in a cis conformation with respect to the N=C bond [1.2608?(13)?Å]. The cyclo-hexene ring adopts a distorted half-chair conformation. The thia-zolidine ring is close to being planar (r.m.s. deviation = 0.057?Å) and makes dihedral angles of 62.92?(6) and 56.32?(6)°, respectively, with the benzene ring and the chloro-substituted benzene ring. The dihedral angle between the benzene ring and the chloro-substituted benzene ring is 72.91?(6)°. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds into undulating sheets lying parallel to the bc plane. The crystal is further consolidated by C-H?? inter-actions.

| S-EPMC3393272 | biostudies-literature

(5R)-5-[(1R)-2,2-Dichloro-1-methyl-cyclo-prop-yl]-2-methyl-cyclo-hex-2-en-1-one.

Project description:The title compound, C(11)H(14)Cl(2)O, was synthesized by the reaction of a dichloro-methane solution of (R)-carvone and potassium tert-butano-late in the presence of a catalytic amount of benzyl-triethyl-ammonium chloride in chloro-form. The cyclo-hexene ring adopts a half-boat conformation. The cyclo-propyl ring is unsymmetrical, the shortest C-C bond being distal to the alkyl-substituted C atom. The crystal packing is stabilized only by van der Waals inter-actions.

| S-EPMC3152127 | biostudies-literature

Crystal structure of 5-(4-benzyl-oxyphen-yl)-3-(4-meth-oxy-phen-yl)-6-methyl-cyclo-hex-2-en-1-one.

Project description:The title compound, C27H26O3, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. In mol-ecule A, the plane of the central benzene ring forms dihedral angles of 75.78 (14) and 52.75 (16)° with that of the terminal benzene rings, and the dihedral angle between the planes of the terminal benzene rings is 51.49 (17)°. The corresponding values for mol-ecule B are 75.18 (14), 58.11 (16) and 47.91 (16)°, respectively. The cyclo-hexene ring adopts an envelope conformation in both mol-ecules, with the C atom to which is attached the central benzene ring as the flap. The crystal packing, is stabilized by C-H⋯π inter-actions.

| S-EPMC4331857 | 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

N-[(1E)-5-(3-Chloro-phen-yl)-3-methyl-cyclo-hex-2-en-1-yl-idene]hydroxyl-amine.

Project description:The whole of the title mol-ecule, C13H14ClNO, is disordered over two sets of sites with a refined occupancy ratio of 0.560?(6):0.440?(6). The oxime group having a C=N double bond adopts an E conformation. The dihedral angles between the rings (all atoms) are 89.5?(5) (major componenent) and 88.0?(6)° (minor component).

| S-EPMC3588505 | 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