Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Chloro-3-ethyl-sulfinyl-2-(4-fluoro-phen-yl)-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(12)ClFO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 6.96 (5)°. The crystal structure exhibits a Cl⋯O inter-action with a Cl⋯O distance of 3.163 (1) Å.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2979967 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-Chloro-3-ethyl-sulfinyl-2-(4-fluoro-phen-yl)-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20100120 Pt 2

In the title compound, C(16)H(12)ClFO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 6.96 (5)°. The crystal structure exhibits a Cl⋯O inter-action with a Cl⋯O distance of 3.163 (1) Å. ...[more]

PMID: 21579822

Similar Datasets

2-(4-Chloro-phen-yl)-3-ethyl-sulfinyl-5-fluoro-1-benzofuran.

Project description:In the title compound, C(16)H(12)ClFO(2)S, the 4-chloro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 19.79?(8)°. The crystal structure exhibits weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC2984045 | biostudies-literature

3-Ethyl-sulfinyl-5-fluoro-2-(4-iodo-phen-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(12)FIO(2)S, the 4-iodo-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 11.41?(7)°. The crystal structure is stabilized by an inter-molecular ?-? inter-action between the benzene and 4-iodo-phenyl rings [centroid-centroid distance = 3.757?(3)?Å]. The crystal structure also exhibits a weak inter-molecular C-H?O hydrogen bond and a short I?O [3.2575?(16)?Å] contact.

| S-EPMC3006759 | biostudies-literature

5-Chloro-2-(4-fluoro-phen-yl)-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(12)ClFO(2)S, the O atom and the phenyl ring 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 [82.44 (5)°]. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 20.83 (6)°.

| S-EPMC3051701 | biostudies-literature

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

Project description:In the title compound, C(15)H(10)ClFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 25.99 (4)°. The crystal structure is stabilized by a non-classical inter-molecular C-H⋯O hydrogen bond and a Cl⋯O halogen bond [3.244 (1) Å].

| S-EPMC2971000 | biostudies-literature

5-Chloro-3-ethyl-sulfinyl-2-(4-iodo-phen-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(12)ClIO(2)S, the 4-iodo-phenyl ring is rotated out of the benzofuran plane by 9.4 (1)°. In the crystal structure, inter-molecular C-H⋯π inter-actions and short inter-molecular I⋯O contacts [3.142 (2) Å] are observed.

| S-EPMC3008065 | biostudies-literature

5-Chloro-3-ethyl-sulfinyl-2-(4-fluoro-phen-yl)-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)ClFO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 8.32?(5)°. The crystal structure features a short Cl?O contact [3.092?(1)?Å].

| S-EPMC2983861 | biostudies-other

5-Bromo-3-ethyl-sulfinyl-2-(4-fluoro-phen-yl)-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)BrFO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 7.60?(4)°. The crystal structure is stabilized by a Br?O halogen-bonding inter-action [3.048?(1)?Å].

| S-EPMC2979252 | biostudies-literature

3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5-iodo-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 14.56?(5)° with the mean plane [r.m.s. deviation = 0.012?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of I?O contacts [3.038?(2)?Å], forming inversion dimers. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions, with site-occupancy factors of 0.747?(3) and 0.253?(3).

| S-EPMC3470334 | biostudies-literature

3-Ethyl-sulfinyl-2-(4-fluoro-phen-yl)-5,6-methyl-enedi-oxy-1-benzofuran.

Project description:In the title compound, C(17)H(13)FO(4)S, the 4-fluoro-phenyl ring makes a dihedral angle of 4.92?(4)° with the plane of the 5,6-methyl-enedi-oxy-1-benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?F hydrogen bonds.

| S-EPMC2979611 | biostudies-literature

3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5,6-methyl-enedi-oxy-1-benzofuran.

Project description:In the title compound, C17H13FO4S, the 3-fluoro-phenyl ring makes a dihedral angle of 6.14 (5)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯F, C-H⋯O and C-H⋯π inter-actions, forming a three--dimensional network. The crystal structure also exhibits slipped π-π inter-actions between the 3-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.769 (2) Å and slippage = 1.684 (2) Å].

| S-EPMC3588941 | 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