Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Methyl-3-phenyl-sulfinyl-1-benzofuran.

ABSTRACT: The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran system. The phenyl ring makes a dihedral angle of 78.76?(4)° with the benzofuran mean plane. The crystal structure is stabilized by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 4.017?(3)?Å]. In addition, the crystal structure exhibits inter-molecular C-H?? and C-H?O inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2962107 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Methyl-3-phenyl-sulfinyl-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20080712 Pt 8

The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran system. The phenyl ring makes a dihedral angle of 78.76 (4)° with the benzofuran mean plane. The crystal structure is stabilized by π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid dis ...[more]

PMID: 21203189

Similar Datasets

3-Methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 37.65?(8)° with the plane of the benzofuran fragment. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran ring system. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.549?(2)?Å] and by inter-molecular C-H?O inter-actions.

| S-EPMC2960582 | biostudies-literature

2,4,6,7-Tetra-methyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(18)H(18)O(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the planar benzofuran fragment. The phenyl ring is nearly perpendicular to the benzofuran system [88.56?(7)°] and is tilted slightly towards it. Molecules form pseudo-helices along the a axis. The crystal structure is stabilized by a C-H?? inter-action between a methyl H atom and the phenyl ring of the phenyl-sulfinyl substituent, and by intra- and inter-molecular C-H?O inter-actions.

| S-EPMC2961357 | biostudies-literature

2,4,5,6-Tetra-methyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(18)H(18)O(2)S, the phenyl ring makes a dihedral angle of 87.47?(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-EPMC3120578 | biostudies-literature

5-Fluoro-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:In the title compound, C(15)H(11)FO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The 2-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 32.1?(2)°. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.690?(5)?Å]. In addition, the crystal structure exhibits inter-molecular C-H?O and C-H?F inter-actions.

| S-EPMC2977333 | biostudies-literature

5-Iodo-7-methyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-7-methyl-3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 27.17?(9)° with the plane of the benzofuran fragment, with the O atom and the methyl group of the methyl-sulfinyl substituent lying on opposite sides of this plane. The crystal structure exhibits inter-molecular C-H?I inter-actions, and an I?O halogen bond of 3.107?(2)?Å with a nearly linear C-I?O angle of 173.73?(6)°.

| S-EPMC2961360 | 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-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-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

2-(4-Fluoro-phen-yl)-3-methyl-sulfinyl-5-phenyl-1-benzofuran.

Project description:In the title mol-ecule, C(21)H(15)FO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are situated on the opposite sides of the plane through the benzofuran fragment. The benzofuran ring plane makes dihedral angles of 28.63?(6) and 31.55?(5)° with the 4-fluoro-phenyl and phenyl rings, respectively. Weak C-H?F and C-H?O hydrogen bonds and inter-molecular C-H?? inter-actions are present in the crystal structure. The title crystal was refined as an inversion twin with a 0.39?(7):0.61?(7) domain ratio.

| S-EPMC2979132 | biostudies-literature

5-Chloro-7-methyl-2-phenyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(15)ClO(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment; the phenyl ring is almost perpendicular to this plane [82.24?(7)°]. The phenyl ring in the 2-position is rotated out of the benzofuran plane, making a dihedral angle of 11.50?(9)°. The crystal structure is stabilized by inter-molecular C-H?O and C-H?Cl inter-actions. In addition, the stacked mol-ecules exhibit an inter-molecular S?O inter-action [3.327?(2)?Å] involving the sulfinyl groups.

| S-EPMC2977311 | 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