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Observation of an infrequent enantiomer/conformer substitutional disorder in ethyl 13‐ethyl‐4‐oxo‐8,13‐dihydro‐4 H ‐benzo[5,6]azepino[3,2,1‐ ij ]quinoline‐5‐carboxylate heptane hemisolvate
Author(s) -
Macías Mario A.,
Sanabria Elkin E.,
Acosta-Quintero Lina M.,
Palma Alirio,
Suescun Leopoldo
Publication year - 2018
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229618015152
Subject(s) - conformational isomerism , enantiomer , triclinic crystal system , molecule , chemistry , stereochemistry , heptane , crystal structure , crystallography , organic chemistry
Considering the importance of quinolones due to their broad spectrum of biological activities, the crystal structure of the title compound, C 22 H 21 NO 3 ·0.5C 7 H 16 , has been determined. Two enantiomers of the benzazepinoquinoline molecule and one molecule of heptane form the asymmetric unit of this centrosymmetric triclinic ( P ) crystal. All the molecules in the crystal present disorder. Substitutional disorder is observed for the benzazepine molecules, where a minority conformer of the R enantiomer replaces the main conformer of the S enantiomer and vice versa . Positional disorder is found for the heptane solvent molecule, which occupies a void left by the independent enantiomers of both conformers.