Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Methyl-3-phenyl-sulfonyl-5-propyl-1-benzofuran.

ABSTRACT: The title compound, C(18)H(18)O(3)S, was prepared by the oxidation of 2-methyl-3-phenyl-sulfanyl-5-propyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 81.74?(6)° with the plane of the benzofuran fragment. The crystal structure is stabilized by C-H?? inter-actions between a methyl H atom and the phenyl ring of the phenyl-sulfonyl substituent from a neighbouring mol-ecule, and by inter-molecular C-H?O inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2960507 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Methyl-3-phenyl-sulfonyl-5-propyl-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20080816 Pt 9

The title compound, C(18)H(18)O(3)S, was prepared by the oxidation of 2-methyl-3-phenyl-sulfanyl-5-propyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 81.74 (6)° with the plane of the benzofuran fragment. The crystal structure is stabilized by C-H⋯π inter-actions between a methyl H atom and the phenyl ring of the phenyl-sulfonyl substituent from a neighbouring mol-ecule, and by inter-molecular C-H⋯O inter-actions. ...[more]

PMID: 21201743

Similar Datasets

3-Cyclo-hexyl-sulfonyl-2-methyl-5-propyl-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 inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. In the propyl group, one C atom is disordered over two sites with site-occupancy factors of 0.546 (8) and 0.454 (8).

| S-EPMC3200801 | biostudies-literature

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

Project description:There are two symmetry-independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(15)H(11)FO(3)S. The crystal studied was an inversion twin with a 0.21 (12):0.79 (12) domain ratio. In the crystal structure, the two independent mol-ecules are related by a pseudo-inversion center. The dihedral angles formed by the phenyl ring and the plane of the benzofuran fragment are 80.2 (1)° in mol-ecule A and 80.7 (1)° in mol-ecule B. In the crystal structure, the A and B mol-ecules are linked by aromatic π-π inter-actions between the furan and benzene rings of neighbouring benzofuran systems; the centroid-centroid distances are 3.671 (7) and 3.715 (7) Å. In addition, the crystal structure also exhibits two weak non-classical inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2979977 | biostudies-literature

5-Bromo-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(15)H(11)BrO(3)S, was prepared by the oxidation of 5-bromo-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 78.99 (8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by C-H⋯π inter-actions between a benzene H atom of the benzofuran unit and the phenyl ring of the phenyl-sulfonyl substituent from a neighbouring mol-ecule. In addition, the crystal structure exhibits intra- and inter-molecular C-H⋯O inter-actions.

| S-EPMC2961177 | biostudies-literature

5-Ethyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(17)H(16)O(3)S, was prepared by the oxidation of 5-ethyl-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 75.94 (8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.620 (4) Å]. In addition, the crystal structure exhibits C-H⋯π inter-actions.

| S-EPMC2961571 | biostudies-literature

5-Chloro-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(15)H(11)ClO(3)S, was prepared by the oxidation of 5-chloro-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. There are two symmetry-independent mol-ecules in the asymmetric unit. The dihedral angles formed by the phenyl ring and the plane of the benzofuran system are 77.80 (8) and 78.34 (8)°. The crystal structure is stabilized by aromatic π-π stacking inter-actions between the furan ring and the benzene rings of neighbouring benzofuran fragments from two symmetry-independent mol-ecules; the centroid-centroid distances within the stacks are 3.689 (4), 3.702 (4), 3.825 (4) and 3.826 (4) Å. Additionally, the stacked mol-ecules exhibit inter- and intra-molecular C-H⋯O inter-actions.

| S-EPMC2961728 | biostudies-literature

5-Isopropyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(18)H(18)O(3)S, was prepared by the oxidation of 5-isopropyl-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 79.37 (6)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π-π stacking inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.762 (3) Å]. In addition, the stacked mol-ecules exhibit C-H⋯π and intra-molecular C-H⋯O inter-actions.

| S-EPMC2961705 | biostudies-literature

2-Methyl-5,6-methyl-enedi-oxy-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(16)H(12)O(5)S, was prepared by oxidation of 2-methyl-5,6-methyl-ene-di-oxy-3-phenyl-sulfanyl-1-benzo-furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 83.64 (4)° with the mean plane of the 5,6-(methyl-ene-di-oxy)-benzo-furan fragment. The crystal structure is stabilized by C-H⋯π inter-actions between a benzene H atom of the 5,6-(methyl-ene-di-oxy)-benzo-furan unit and the phenyl ring of the phenyl-sulfonyl substituent. Additionally, the crystal structure exhibits inter- and intra-molecular C-H⋯O inter-actions.

| S-EPMC2961259 | 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-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⋯π inter-actions.

| S-EPMC3200710 | biostudies-literature

2,5-Dimethyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(16)H(14)O(3)S, was prepared by the oxidation of 2,5-dimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 76.98 (9)° with the plane of the benzofuran fragment. The crystal structure is stabilized by π-π inter-actions between furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.775 (4) Å]. In addition, the crystal structure exhibits intra- and inter-molecular C-H⋯O inter-actions.

| S-EPMC2961094 | 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