Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Chloro-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

ABSTRACT: The title compound, C16H13ClO3S, crystallized with two independent mol-ecules in the asymmetric unit. The 4-methyl-phenyl rings make dihedral angles of 75.15?(4)° and 72.18?(4)° with the planes of the benzo-furan ring systems in the two mol-ecules. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, forming a three-dimensional network.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3772482 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-Chloro-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

The title compound, C16H13ClO3S, crystallized with two independent mol-ecules in the asymmetric unit. The 4-methyl-phenyl rings make dihedral angles of 75.15 (4)° and 72.18 (4)° with the planes of the benzo-furan ring systems in the two mol-ecules. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network. ...[more]

PMID: 24046625

Similar Datasets

5-Chloro-2,7-dimethyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H15ClO3S, the dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl rings is 76.99?(4)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into chains along the b-axis direction. These chains are linked by ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.976?(2)?Å].

| S-EPMC4011214 | biostudies-literature

Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methyl-phenyl)-sulfon-yl]-1-benzo-furan.

Project description:In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.008 Å] and the 4-methyl-phenyl ring is 77.29 (4)°. In the crystal, mol-ecules are linked by π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.743 (2) Å]. The mol-ecules are stacked along the a-axis direction. In addition, pairs of C-H⋯O hydrogen bonds are observed between inversion-related dimers: these generate R 2 (2)(12) loops.

| S-EPMC4186162 | biostudies-literature

2,5-Dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H16O3S, the dihedral angle between the 4-methyl-phenyl ring and the mean plane [r.m.s. deviation = 0.011?(1)?Å] of the benzo-furan ring system is 71.47?(5)°. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by slipped ?-? inter-actions between the benzo-furan ring systems of neighbouring mol-ecules [centroid-centroid distances = 3.638?(2) and 3.766?(2)?Å, inter-planar distances = 3.564?(2) and 3.454?(2)?Å, and slippages = 0.730?(2) and 1.501?(2)?Å], forming a three-dimensional network.

| S-EPMC3648333 | biostudies-literature

5-Fluoro-2-methyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C16H13FO3S, the dihedral angle between the mean planes of the benzo-furan ring system and the 3-methyl-phenyl ring is 80.96 (4)°. In the crystal, mol-ecules are linked via pairs of π-π inter-actions between furan and benzene rings, with centroid-centroid distances of 3.758 (1) and 3.771 (1) Å. A similar inter-action is found between furan rings, with a centroid-centroid distance of 3.661 (1) Å between neighbouring mol-ecules. The mol-ecules stack along the a-axis direction. In addition, C-H⋯O and C-H⋯π hydrogen bonds are observed between inversion-related dimers.

| S-EPMC3998627 | biostudies-literature

5-Cyclo-pentyl-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C21H22O3S, the cyclo-pentyl ring adopts a twist conformation. The dihedral angle between the mean planes of the benzo-furan and 4-methyl-phenyl rings is 72.38?(6)°. In the crystal, mol-ecules are linked by C-H?O and C-H?? inter-actions, forming a three-dimensional supra-molecular network.

| S-EPMC4011272 | biostudies-literature

5-Cyclo-pentyl-2-methyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C21H22O3S, the five-membered ring adopts an envelope conformation with the ipso atom deviating by 0.596 (2) Å from the plane through the rest of the ring atoms. The dihedral angle between the mean planes of the benzo-furan and m-tolyl moieties is 78.4 (1)°. In the crystal, mol-ecules related by a glide plane are linked via C-H⋯O hydrogen bonds into chains along the a-axis direction. These chains are in turn connected by C-H⋯π inter-actions into layers parallel to the ac plane.

| S-EPMC3998559 | biostudies-literature

5-Cyclo-hexyl-2-methyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C22H24O3S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.010 (1) Å] of the benzo-furan ring system and the benzene ring is 81.78 (4)°. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions into inversion dimers. These dimers are further linked by C-H⋯π inter-actions into supra-molecular chains running along the b-axis direction. In addition, C-H⋯O hydrogen bonds are observed between inversion-related dimers.

| S-EPMC3998604 | biostudies-literature

3-(4-Chloro-phenyl-sulfon-yl)-2-methyl-naphtho[1,2-b]furan.

Project description:The title compound, C(19)H(13)ClO(3)S, was prepared by the oxidation of 3-(4-chloro-phenyl-sulfan-yl)-2-methyl-naphtho[1,2-b]furan with 3-chloro-peroxy-benzoic acid. The 4-chloro-phenyl ring makes a dihedral angle of 68.59 (5)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.635 (3) Å], and by C-H⋯π inter-actions between a methyl H atom and the furan ring of an adjacent mol-ecule. In addition, the crystal structure exhibits inter-molecular C-H⋯O inter-actions.

| S-EPMC2961290 | biostudies-literature

5-Bromo-2,7-dimethyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl rings is 77.37?(5)°. In the crystal, mol-ecules are linked via pairs of Br?O [Br?O = 3.335?(2)?Å] contacts into inversion dimers. These dimers are further linked by C-H?O hydrogen bonds and ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid separation = 3.884?(3)?Å] into supra-molecular chains running along the a-axis direction.

| S-EPMC4011232 | biostudies-literature

5-Bromo-2,7-dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzo-furan and 4-methyl-phenyl rings is 76.43?(5)°. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds into inversion dimers that are further linked by Br?Br [3.6517?(4)?Å] contacts about inversion centers into supra-molecular sheets that lie parallel to (111).

| S-EPMC4011263 | 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