Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Cyclo-hexyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

ABSTRACT: In the title compound, C(21)H(22)O(3)S, the cyclo-hexyl ring adopts a chair conformation. The phenyl ring makes a dihedral angle of 78.07?(5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3120485 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-Cyclo-hexyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Seo Pil Ja PJ Choi Hong Dae HD Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

In the title compound, C(21)H(22)O(3)S, the cyclo-hexyl ring adopts a chair conformation. The phenyl ring makes a dihedral angle of 78.07 (5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. ...[more]

PMID: 21754864

Similar Datasets

5-Bromo-3-cyclo-hexyl-sulfonyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(17)BrO(3)S, the cyclo-hexyl ring adopts a practically undistorted chair conformation [endocyclic torsion angles are within a 54.5-56.4?(3)° range] and the aryl-sulfonyl unit is positioned equatorial relative to the cyclo-hexyl group. In the crystal, mol-ecules are linked through C-H?O hydrogen bonds and donor-acceptor Br?O contacts [3.250?(2)?Å]. The crystal structure also exhibits aromatic ?-? overlap between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.635?(2)?Å].

| S-EPMC3052108 | biostudies-literature

3-Cyclo-hexyl-sulfonyl-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(24)O(3)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked through weak non-classical inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3100029 | biostudies-literature

3-Cyclo-hexyl-sulfonyl-5-fluoro-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(17)FO(3)S, the cyclo-hexyl ring adopts a classic chair conformation and the aryl-sulfonyl unit is positioned equatorial relative to the cyclo-hexyl group. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3099950 | biostudies-literature

5-Cyclo-hexyl-3-cyclo-hexyl-sulfonyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(21)H(28)O(3)S, the benzofuran unit is essentially planar, with a mean deviation of 0.016?(1)?Å from the least-squares plane defined by the nine constituent atoms. Both cyclo-hexane rings adopt chair conformations.

| S-EPMC3099851 | biostudies-other

5-Cyclo-pentyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:In the title compound, C(20)H(20)O(3)S, the cyclo-pentyl ring adopts an envelope conformation. The phenyl ring makes a dihedral angle of 81.40?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3200710 | biostudies-literature

5-Cyclo-hexyl-2-methyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(22)O(2)S, the cyclo-hexyl ring adopts a chair conformation. The phenyl ring makes a dihedral angle of 84.80?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3089290 | biostudies-literature

5-Cyclo-hexyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:In the title compound, C(21)H(22)O(2)S, the cyclo-hexyl ring adopts a chair conformation while the phenyl ring makes a dihedral angle of 33.38?(5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3051680 | biostudies-literature

3-Cyclo-hexyl-sulfonyl-2,5-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(20)O(3)S, the cyclo-hexyl ring adopts a chair conformation and the aryl-sulfonyl unit is in the equatorial position. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3089093 | biostudies-literature

5-Cyclo-hexyl-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(22)H(24)O(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-methyl-phenyl ring makes a dihedral angle of 80.95?(4)° with the mean plane [mean deviation = 0.011?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions.

| S-EPMC3344026 | biostudies-literature

5-Cyclo-hexyl-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

Project description:In the title compound, C(22)H(24)O(2)S, the cyclo-hexyl ring adopts a chair conformation. The 4-methyl-phenyl ring makes a dihedral angle of 81.60 (5)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and weak π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.545 (2) Å, inter-planar distance = 3.489 (2) Å and slippage = 0.628 (2) Å.

| S-EPMC3343928 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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