Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

ABSTRACT: In the title mol-ecule, C(18)H(17)ClO(3)S, the 4-chloro-phenyl ring makes a dihedral angle of 77.03?(5)° with the mean plane of the benzofuran fragment. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3089266 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20110429 Pt 5

In the title mol-ecule, C(18)H(17)ClO(3)S, the 4-chloro-phenyl ring makes a dihedral angle of 77.03 (5)° with the mean plane of the benzofuran fragment. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. ...[more]

PMID: 21754524

Similar Datasets

3-(3-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)ClO(3)S, the 3-chloro-benzene ring makes a dihedral angle of 82.04 (5)° with the mean plane [r.m.s. deviation = 0.006 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3343923 | biostudies-literature

5-Chloro-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)ClFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 75.83 (5)° with the plane of the benzofuran fragment. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via an aromatic π-π inter-action between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.510 (2) Å].

| S-EPMC3007851 | biostudies-literature

3-(3-Chloro-phenyl-sulfon-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the title molecule, C(16)H(13)ClO(3)S, the 3-chloro-phenyl ring makes a dihedral angle of 76.30?(5)° with the mean plane of the benzofuran fragment. In the crystal, pairs of inter-molecular C-H?? inter-actions link the mol-ecules into inversion dimers.

| S-EPMC3201520 | biostudies-literature

3-(3-Chloro-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(3)S, the 3-chloro-phenyl ring makes a dihedral angle of 77.76 (6)° with the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3343926 | biostudies-literature

3-(4-Fluoro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 82.12?(4)° with the plane of the benzofuran fragment. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC2979105 | biostudies-other

2,5,7-Trimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(18)H(18)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 86.35?(3)° with the mean plane [mean deviation = 0.006?(1)?Å] 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 weak ?-? inter-actions between the furan and benzene rings of neighbouring benzofuran systems [centroid-centroid distance = 3.685?(2), inter-planar distance = 3.572?(2) and slippage = 0.906?(2)?Å].

| S-EPMC3379338 | biostudies-literature

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

Project description:In the title compound, C(16)H(13)FO(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 76.04?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by a slipped ?-? inter-action between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.780?(2)?Å, inter-planar distance = 3.475?(2)?Å and slippage = 1.488?(2)?Å].

| S-EPMC3275210 | biostudies-literature

5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(13)BrO(3)S, the 4-methyl-phenyl group makes a dihedral angle of 70.1 (1)° with the mean plane [average deviation = 0.012 (2) Å] of the benzofuran unit. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds. There are also π-π inter-actions between the furan and benzene rings of adjacent benzofuran systems [centroid-centroid distances = 3.621 (2) and 3.665 (2) Å], along with halogen-halogen inter-actions [Br⋯Br separation = 3.674 (1) Å].

| S-EPMC3393953 | biostudies-literature

N-(4-Chloro-phenyl-sulfon-yl)-2-methyl-propanamide.

Project description:In the crystal structure of the title compound, C(10)H(12)ClNO(3)S, the N-C bond in the C-SO(2)-NH-C segment has a gauche torsion with respect to the S=O bonds. The mol-ecule is twisted at the S atom with a C-S-N-C torsion angle of -62.3?(3)°. The benzene ring and the SO(2)-NH-CO-C segment form a dihedral angle of 89.3?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds into inversion dimers.

| S-EPMC3200645 | biostudies-literature

N-(2-Chloro-phenyl-sulfon-yl)-2-methyl-propanamide.

Project description:In the title compound, C(10)H(12)ClNO(3)S, the amide H atom is syn with respect to the ortho-chloro group in the benzene ring and the C-S-N-C torsion angle is 64.35 (16)°. The benzene ring and the SO(2)-NH-CO-C segment form a dihedral angle of 87.4 (1)°. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3052113 | 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