Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3051680 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

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

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

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⋯π inter-actions. ...[more]

PMID: 21522973

Similar Datasets

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

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

Project description:There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(15)H(17)ClO(2)S, in each of which the cyclo-hexyl ring adopts a chair conformation. The benzofuran units in each mol-ecule are essentially planar, with mean deviations from a least-squares plane defined by the nine constituent ring atoms of 0.006 (2) Å for A and 0.011 (2) Å for B. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions and by two I⋯O contacts [I⋯O = 3.079 (2) and 3.017 (2) Å].

| S-EPMC3099997 | biostudies-literature

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

Project description:In the asymmetric unit of the title compound, C(15)H(17)BrO(3)S, there are two independent mol-ecules. The cyclo-hexane rings in each adopt classic chair conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and aromatic π-π inter-actions between the furan rings of symmetry-related mol-ecules [centroid-centroid distance = 3.555 (2) Å].

| S-EPMC3051560 | biostudies-literature

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

Project description:In the title compound, C(20)H(20)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The phenyl ring makes a dihedral angle of 32.36 (9)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak C-H⋯O inter-actions. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site occupancy factors of 0.675 (8) and 0.325 (8).

| S-EPMC3099988 | biostudies-literature

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

Project description: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.

| S-EPMC3120485 | biostudies-literature

5-Cyclo-hexyl-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(21)FO(2)S, the cyclo-hexyl ring adopts a chair conformation. The 3-fluoro-phenyl ring makes a dihedral angle of 38.38 (6)° with the mean plane [r.m.s. deviation = 0.010 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds.

| S-EPMC3343925 | biostudies-literature

5-Cyclo-hexyl-2-(4-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(21)FO(2)S, the cyclo-hexyl ring adopts a classic chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 31.05 (6)° 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⋯π inter-actions.

| S-EPMC3051523 | 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

5-Chloro-3-cyclo-hexyl-sulfinyl-2-methyl-1-benzofuran.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(17)ClO(2)S, in each of which the cyclo-hexyl rings adopt chair conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3099820 | biostudies-other

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