Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Bromo-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

ABSTRACT: In the title compound, C(17)H(15)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 87.12?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3275211 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Bromo-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

In the title compound, C(17)H(15)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 87.12 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 22347067

Similar Datasets

5-Bromo-3-(4-fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title mol-ecule, C(17)H(14)BrFO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 75.92 (5)° 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 aromatic π-π inter-actions between the benzene and the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.556 (1) Å].

| S-EPMC3051696 | biostudies-literature

3-(4-Chloro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title mol-ecule, C(17)H(15)ClO(2)S, the 4-chloro-phenyl ring is oriented approximately perpendicular to the mean plane of the benzofuran ring [dihedral angle = 88.98?(4)°]. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O and C-H?? inter-actions, forming right-hand pseudo-helices along the a axis.

| S-EPMC3009119 | biostudies-literature

3-(3-Fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 78.38?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distances = 3.628?(2)?Å, inter-planar distance = 3.417?(2)?Å and slippage = 1.219?(2)?Å].

| S-EPMC3247498 | biostudies-literature

3-(3-Chloro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 71.46?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and a slipped ?-? inter-action between the 3-chloro-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.630?(2)?Å, inter-planar distance = 3.375?(2)?Å and slippage = 1.337?(2)?Å].

| S-EPMC3275052 | biostudies-literature

3-(4-Fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran; the 4-fluoro-phenyl ring is almost perpendicular to this plane, making a dihedral angle of 88.99?(4)°. The crystal structure exhibits inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions between the methyl H atom and the 4-fluoro-phenyl ring.

| S-EPMC2983614 | biostudies-literature

3-(4-Bromo-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 87.78?(5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by weak inter-molecular C-S?? [3.399?(2)?Å] and C-Br?? [3.797?(2) and 3.757?(2)?Å] inter-actions.

| S-EPMC3275230 | biostudies-literature

5-Bromo-2,4,6-trimethyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzo-furan.

Project description:In the title compound, C18H17BrO2S, the dihedral angle between the methyl-phenyl ring and the mean plane of the benzo-furan rung system is 87.0 (2)°. In the crystal, mol-ecules related by inversion are paired into dimers via C-H⋯O and C-H⋯π inter-actions. These dimers are further linked by C-H⋯O hydrogen bonds and π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.555 (5) Å], resulting in a three-dimensional supra-molecular network.

| S-EPMC3998541 | biostudies-literature

5-Bromo-2,4,6-trimethyl-3-(3-methyl-phenyl-sulfin-yl)-1-benzo-furan.

Project description:In the title compound, C18H17BrO2S, the dihedral angle between the mean plane of the benzo-furan ring system and the benzene ring is 68.58 (4)°. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds into inversion dimers. These dimers are linked by C-H⋯O hydrogen bonds and π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.783 (1) Å], forming a three-dimensional network. In addition, the stacked mol-ecules exhibit inversion-related S⋯O contacts [3.153 (1) Å] involving the sulfinyl groups.

| S-EPMC3998578 | biostudies-literature

5-Bromo-2,4,6-trimethyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:The title compound, C(17)H(15)BrO(2)S, which was synthesized by the oxidation of 5-bromo-2,4,6-trimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid, features a trigonally-coordinated S atom. The phenyl ring is approximately perpendicular to the plane of the benzofuran fragment [dihedral angle 75.11?(7)°]. The crystal structure is stabilized by non-classical C-H?O and Br?Br inter-actions [3.7169?(6)?Å].

| S-EPMC2960548 | biostudies-literature

3-(3-Fluoro-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 86.89?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.719?(2)?Å, inter-planar distance = 3.475?(2)?Å and slippage = 1.325?Å].

| S-EPMC3120630 | 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