Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(20)H(19)FO(2)S, the cyclo-pentyl ring adopts an envelope conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 27.10?(7)° 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 C-H?? inter-actions. In the cyclo-pentyl ring, one C atom is disordered over two orientations with site-occupancy factors of 0.617?(7) and 0.383?(7).

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3201219 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

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

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, C(20)H(19)FO(2)S, the cyclo-pentyl ring adopts an envelope conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 27.10 (7)° 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 C-H⋯π inter-actions. In the cyclo-pentyl ring, one C atom is disordered over two orientations with site-occupancy factors of 0.617 (7) and 0.383 (7). ...[more]

PMID: 22065539

Similar Datasets

5-Cyclo-pentyl-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(19)FO(2)S, the benzofuran fragment is essentially planar, with a largest deviation from the mean plane of 0.026?(2)?Å. The benzene ring makes a dihedral angle of 30.72?(12)° with this plane. The cyclo-pentyl group adopts an envelope conformation, with the ?-C atom as the flap. This atom is disordered over two sites with occupancy factors of 0.803?(16) and 0.197?(16). In the crystal, mol-ecules are linked by weak C-H?O, C-H?? and C-F?? [3.257?(3)?Å] inter-actions.

| S-EPMC3393297 | biostudies-literature

5-Cyclo-pentyl-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(22)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008?(2)?Å. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions, forming inversion dimers. In the ring of the 4-methyl-phenyl group, four C atoms and their attached H atoms are disordered over two sets of sites, with site-ccupancy factors of 0.899?(5) and 0.10.

| S-EPMC3515229 | biostudies-literature

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

Project description:In the title compound, C(21)H(21)FO(2)S, the cyclo-hexyl ring adopts a classic chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 31.05?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3051523 | biostudies-literature

5-Cyclo-hexyl-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(21)FO(2)S, the cyclo-hexyl ring adopts a chair conformation. The 3-fluoro-phenyl ring makes a dihedral angle of 38.38 (6)° with the mean plane [r.m.s. deviation = 0.010 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds.

| S-EPMC3343925 | biostudies-literature

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

Project description:In the title compound, C(15)H(10)F(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-fluoro-phenyl ring is rotated out of the benzofuran plane by a dihedral angle of 28.09?(3)°. The crystal structure is stabilized by weak inter-molecular C-H?O and C-H?F hydrogen bonds.

| S-EPMC2971451 | biostudies-literature

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

Project description:In the title compound, C(16)H(13)FO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 38.75?(8)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3200607 | biostudies-literature

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

Project description:In the title compound, C16H13FO2S, the 4-methyl-phenyl ring makes a dihedral angle of 29.53 (4)° with the mean plane of the benzofuran fragment [r.m.s. deviation = 0.004 (1) Å]. In the crystal, mol-ecules are linked by pairs of weak C-H⋯O hydrogen bonds, forming inversion dimers that stack along the a axis.

| S-EPMC3588940 | biostudies-literature

5-Bromo-3-cyclo-pentyl-sulfinyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(14)H(15)BrO(2)S, the cyclo-pentyl ring adopts an envelope conformation. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site-occupancy factors of 0.618?(11) and 0.382?(11). In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3120517 | biostudies-literature

5-Chloro-3-cyclo-pentyl-sulfinyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(14)H(15)ClO(2)S, the cyclo-pentyl ring adopts an envelope conformation. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.784?(3)?Å, inter-planar distance = 3.199?(3)?Å and slippage = 2.021?(3)?Å].

| S-EPMC3151758 | biostudies-literature

5-Cyclo-pentyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:In the title compound, C(20)H(20)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The phenyl ring makes a dihedral angle of 32.36 (9)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak C-H⋯O inter-actions. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site occupancy factors of 0.675 (8) and 0.325 (8).

| S-EPMC3099988 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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