Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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 ?-? inter-actions between the furan rings of symmetry-related mol-ecules [centroid-centroid distance = 3.555?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3051560 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

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

Acta crystallographica. Section E, Structure reports online 20110129 Pt 2

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]. ...[more]

PMID: 21523175

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-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⋯π inter-actions.

| S-EPMC3051680 | biostudies-literature

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

Project description:In the title compound, C(14)H(15)BrO(2)S, the cyclo-pentyl ring adopts an envelope conformation. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site-occupancy factors of 0.618?(11) and 0.382?(11). In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3120517 | biostudies-literature

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 π-π overlap between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.635 (2) Å].

| S-EPMC3052108 | 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-Bromo-3-cyclo-hexyl-sulfinyl-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(19)BrO(2)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked by a Br?Br [3.5994?(5)?Å] contact and a C-H?? inter-action involving the phenyl ring of the benzofuran. The crystal structure also exhibits a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.767?(1)?Å and inter-planar distance of 3.452?(1)?Å with a slippage of 1.508?Å].

| S-EPMC3089368 | biostudies-other

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

5-Chloro-3-cyclo-hexyl-sulfinyl-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(19)ClO(2)S, the cyclo-hexyl ring adopts a chair conformation and the aryl-sulfinyl unit is positioned equatorial relative to the cyclo-hexyl group. The least-squares plane through all six C atoms of the cyclo-hexyl ring makes a dihedral angle of 74.80 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200660 | 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