The asymmetric unit of the title compound, C(18)H(30)N(2)O(4), 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 center dot center dot center dot 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 center dot center dot center dot O hydrogen interaction is observed, involving the O atom of the major component of the disordered ethoxy group.

rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino} but-2-enoate / M. A., Harrad; B., Boualy; M., Ait Ali; L., El Firdoussi; Rizzoli, Corrado. - In: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. - ISSN 1600-5368. - E67:(2011), pp. o1269-o1270. [10.1107/S1600536811015248]

rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino} but-2-enoate

RIZZOLI, Corrado
2011-01-01

Abstract

The asymmetric unit of the title compound, C(18)H(30)N(2)O(4), 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 center dot center dot center dot 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 center dot center dot center dot O hydrogen interaction is observed, involving the O atom of the major component of the disordered ethoxy group.
2011
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino} but-2-enoate / M. A., Harrad; B., Boualy; M., Ait Ali; L., El Firdoussi; Rizzoli, Corrado. - In: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. - ISSN 1600-5368. - E67:(2011), pp. o1269-o1270. [10.1107/S1600536811015248]
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11381/2343551
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 4
  • ???jsp.display-item.citation.isi??? 2
social impact