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3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate

Authors :
Sayed Hasan Mehdi
Rokiah Hashim
Raza Murad Ghalib
Jia Hao Goh
Hoong-Kun Fun
Source :
Acta Crystallographica Section E, Vol 66, Iss 9, Pp o2414-o2415 (2010)
Publication Year :
2010
Publisher :
International Union of Crystallography, 2010.

Abstract

The asymmetric unit of the title compound, C14H17N3O3·0.25H2O, comprises two independent organic molecules and a water molecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent molecules, the cyclohexene rings adopt envelope conformations but superposition of the two molecules shows that the flap atoms point in opposite directions. In the crystal, N—H...O and C—H...O hydrogen bonds interconnect adjacent molecules into a three-dimensional network. Weak intermolecular π–π aromatic stacking interactions [centroid–centroid distances = 3.4985 (9) and 3.6630 (9) Å] are also observed.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368 and 50919253
Volume :
66
Issue :
9
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.5091925378f54b3d89c31e06e2a50bcd
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536810033933