Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Chloro-phen-yl)-3-methyl-sulfanyl-5-phenyl-1-benzofuran.

ABSTRACT: In the title compound, C(21)H(15)ClOS, the 4-chloro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 21.50 (6)°. The dihedral angle between the 5-phenyl ring and the benzofuran plane is 29.39 (6)°. The crystal studied was an inversion twin with a 0.65 (7):0.35 (6) domain ratio.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2983985 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

Project description:In the title compound, C(21)H(15)FOS, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 24.3?(1)°. The dihedral angle between the phenyl ring and the benzofuran plane is 28.3?(1)°. The crystal structure may be stabilized by two very weak aromatic ?-? inter-actions between the furan and the benzene rings of neighbouring benzofuran systems; the centroid-centroid distances are 3.909?(4) and 4.028?(4)?Å.

| S-EPMC2971277 | biostudies-literature

2-(3-Fluoro-phen-yl)-3-methyl-sulfanyl-5-phenyl-1-benzofuran.

Project description:In the title compound, C(21)H(15)FOS, the dihedral angles between the mean plane of the benzofuran fragment and the pendant 3-fluoro-phenyl and phenyl rings are 1.76?(5) and 32.29?(5)°, respectively. In the crystal, mol-ecules are linked by a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.665?(2)?Å, inter-planar distance = 3.391?(2)?Å and slippage = 1.390?(2)?Å].

| S-EPMC3247405 | biostudies-literature

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

Project description:In the title compound, C(21)H(15)FOS, the dihedral angle between the mean plane of the benzofuran fragment and the mean planes of the pendant 4-fluoro-benzene and phenyl rings are 31.72?(6)° and 32.51?(6)°, respectively. In the crystal, the mol-ecules are linked by weak C-H?? inter-actions. The crystal studied was a merohedral twin with a 0.62?(9):0.38?(9) domain ratio.

| S-EPMC3201533 | biostudies-other

Methyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.

Project description:In the title compound, C(18)H(16)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 34.52?(6)°. The methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [100.90?(8)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds, and by inter-molecular C-H?? inter-actions between a methyl H atom of the methyl-sulfanyl substituent and the 4-hydroxy-phenyl ring.

| S-EPMC2970204 | biostudies-literature

3-Ethyl-sulfanyl-2-(4-fluoro-phen-yl)-5-phenyl-1-benzofuran.

Project description:In the title compound, C(22)H(17)FOS, the crystal studied was an inversion twin with a 0.42?(18):0.58?(18) domain ratio. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 17.82?(6)°, and the dihedral angle between the 5-phenyl ring and the benzofuran plane is 29.45?(7)°.

| S-EPMC2979704 | biostudies-literature

2-(4-Bromo-phen-yl)-5,7-dimethyl-3-methyl-sulfanyl-1-benzofuran.

Project description:The title compound, C(17)H(15)BrOS, was prepared by the Lewis acid-catalysed reaction of 2,4-dimethyl-phenol with 4'-bromo-2-chloro-2-(methyl-sulfan-yl)acetophenone. The 4-bromo-phenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 8.4?(1)°. The crystal structure is stabilized by a CH(2)-H?? inter-action between the 5-methyl group and the benzene ring of the benzofuran system.

| S-EPMC2915216 | biostudies-literature

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

Project description:In the title compound, C(16)H(12)Cl(2)O(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-chloro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 15.91?(4)°. In the crystal, mol-ecules are linked into chains along the b axis by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983503 | biostudies-literature

Chlorido{5-chloro-2-[2-(methyl-sulfanyl)phenyl-diazen-yl]phenyl}-platinum(II).

Project description:The title compound, [Pt(C(13)H(10)ClN(2)S)Cl], contains a Pt atom tetra-coordinated by a benzene C, a diazene N, a Cl and an S atom in an approximately square-planar geometry. The mol-ecules dimerize through a nonbonded S⋯S inter-action [S⋯S = 3.523 (18) Å]. There are no hydrogen bonds and the crystal packing is stabilized by four inter-molecular π-π inter-actions; the centroid-centroid distances are 3.804 (3), 3.638 (3), 3.804 (3) and 3.638 (3) Å, and the corresponding perpendicular distances are 3.369, 3.448, 3.406 and 3.466 Å.

| S-EPMC2960293 | biostudies-literature

Isopropyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.

Project description:In the title compound, C(20)H(20)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the plane of the benzofuran unit by 32.87?(8)°. The S-C(meth-yl) bond is almost perpendicular to the plane of the benzofuran fragment [77.8?(1)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O and C-H?O hydrogen bonds.

| S-EPMC2970158 | biostudies-literature

3-(3-Chloro-phenyl-sulfin-yl)-2,4,6,7-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 72.62?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions. The crystal structure also exhibits a slipped ?-? inter-action between the 3-chloro-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.751?(2)?Å, inter-planar distance = 3.450?(2)?Å and slippage = 1.472?(2)?Å].

| S-EPMC3275274 | 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