6533b825fe1ef96bd128290c
RESEARCH PRODUCT
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate
Larbi El FirdoussiMohamed Anoir HarradCorrado RizzoliBrahim BoualyMustapha Ait Alisubject
Hydrogen bondStereochemistryCyclohexane conformationGeneral ChemistryCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Paperslcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999Group (periodic table)General Materials ScienceEthyl groupdescription
The asymmetric unit of the title compound, C18H30N2O4, contains two independent molecules. In each molecule, the cyclohexane ring adopts a chair conformation with equatorial orientation of the substituents, and the conformation is stabilized by two intramolecular N—H...O hydrogen bonds, forming rings of S(6) graph-set motif. One ethoxy group and one ethyl group are disordered over two sets of sites with refined occupancy ratios of 0.704 (2):0.296 (2) and 0.505 (3):0.495 (3), respectively. In the crystal, a weak intermolecular C—H...O hydrogen interaction is observed, involving the O atom of the major component of the disordered ethoxy group.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-05-01 | Acta Crystallographica Section E |