Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1'-Ethyl-sulfanyl-1,1'-bicyclo-hexyl-2-one.

ABSTRACT: There are two independent molecules in the asymmetric unit of the title cyclo-hexa-none derivative, C(14)H(24)OS, in which both cyclo-hexane rings exhibit chair conformations. They are also equatorial to each other, which permits the ethanethiol substituent to be in a syn conformation with the α-H atom of the parent attached cyclo-hexa-none.

SUBMITTER: Sharma LK

PROVIDER: S-EPMC2983972 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1'-Ethyl-sulfanyl-1,1'-bicyclo-hexyl-2-one.

Sharma Lalit Kumar LK Parkin Sean S Elliott Gregory I GI

Acta crystallographica. Section E, Structure reports online 20100327 Pt 4

There are two independent molecules in the asymmetric unit of the title cyclo-hexa-none derivative, C(14)H(24)OS, in which both cyclo-hexane rings exhibit chair conformations. They are also equatorial to each other, which permits the ethanethiol substituent to be in a syn conformation with the α-H atom of the parent attached cyclo-hexa-none. ...[more]

PMID: 21580742

Similar Datasets

1,1'-Bicyclo-hexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate.

Project description:The title compound, C(26)H(28)O(4), lies about a crystallographic twofold rotation axis. The cyclo-hexane rings adopt a chair conformation. The two benzene rings form a dihedral angle of 40.82 (3)°. No significant intra- or inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3379232 | biostudies-literature

1,1'-Bicyclo-hexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxyl-ate.

Project description:The title compound, C(24)H(26)N(2)O(4), lies about a crystallographic twofold rotation axis. The cyclo-hexane rings adopts a chair conformation. The two pyridine rings form a dihedral angle of 41.02 (4)°. In the crystal, mol-ecules are linked via C-H⋯O and C-H⋯N hydrogen bonds into a layer parallel to the bc plane.

| S-EPMC3379234 | biostudies-literature

1,1'-Bicyclo-propyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate.

Project description:In the title compound, C(20)H(16)O(4), the two benzene rings form a dihedral angle of 45.70 (4)°. In the crystal, mol-ecules are linked via C-H⋯O inter-actions into layers lying parallel to the bc plane.

| S-EPMC3379235 | biostudies-literature

2,4,6,8-Tetra-kis(4-ethyl-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:The bicyclo-[3.3.1]nonane ring in the title compound, C(39)H(44)N(2)O, adopts a chair-boat conformation with the four benzene rings being directed away from the carbonyl group. The presence of C-H⋯O contacts leads to helical supra-molecular chains along the b axis.

| S-EPMC2979421 | biostudies-literature

Benzyl 2-ethyl-hexyl sulfoxide.

Project description:The mol-ecule of the title compound, C(15)H(24)OS, shows S conformations for the S atom and the asymmetric C atom of the isooctyl group. The long axes of the mol-ecules are directed along the c axis. In the crystal structure, the mol-ecules are linked by weak inter-molecular bifurcated C-H⋯O hydrogen bonds.

| S-EPMC2971211 | biostudies-literature

2-Ethyl-sulfanyl-7-fluoro-3-(1H-1,2,4-triazol-1-yl)-4H-thio-chromen-4-one.

Project description:The asymmetric unit of the title compound, C(13)H(10)FN(3)OS(2), contains two independent mol-ecules, which differ slightly in the relative orientations of the triazole and ethyl-sulfanyl groups with respect to the planar thio-chromen-4-one frameworks. The dihedral angles between the mean planes of the triazole groups and the corresponding six-membered C(5)OS rings are 56.8 (1) and 52.9 (1)°, while the S-C-S-C dihedral angles are -11.7 (2) and -16.3 (2)°. In the crystal structure, inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules in a stacked arrangement along the a axis. A weak intramolecular C-H⋯·O interaction results in the formation of a non-planar five-membered ring.

| S-EPMC3007947 | biostudies-literature

3-Ethyl-sulfanyl-2,5-diphenyl-1-benzofuran.

Project description:In the title compound, C(22)H(18)OS, the 2-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 29.18 (6)°. The dihedral angle between the 5-phenyl ring and the benzofuran plane is 20.42 (5)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯π inter-actions.

| S-EPMC3007278 | biostudies-literature

Genome-wide gene expression analysis of Di-(2-ethyl hexyl) phthalate-treated cardiomyocytes

Project description:This SuperSeries is composed of the SubSeries listed below.

2010-09-01 | GSE21642 | GEO

2-(2-Oxo-2-phenyl-ethyl)-1,2-benziso-thia-zol-3(2H)-one 1,1-dioxide.

Project description:In the title compound, C(15)H(11)NO(4)S, the benzothia-zole unit is essentially planar [maximum deviation = 0.0644 (14) Å for the N atom] and forms a dihedral angle 54.43 (6)° with the phenyl ring. In the crystal structure, weak bifurcated C-H⋯O hydrogen bonds involving the carbonyl O atoms as acceptors result in R(2) (2)(7) ring motifs.

| S-EPMC2983549 | biostudies-literature

N,N'-Dicyclo-hexyl-ethyl-enediammonium dichloride.

Project description:In the title compound, C(14)H(30)N(2) (2+)·2Cl(-), the N,N'-dicyclo-hexyl-ethyl-enediammonium cation posseses crystallographic symmetry, and thus the compound crystallizes with two formula units per unit cell. In the crystal, the cations and anions are linked by N-H⋯Cl hydrogen bonds, giving a two-dimensional network with {6,3} topology.

| S-EPMC2980107 | 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