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2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile hemihydrate

Authors :
Fang-Ming Wang
Zhong-Xia Wang
Xiao-Lei Hu
Guang-Fan Han
Source :
Acta Crystallographica Section E, Vol 68, Iss 3, Pp o823-o823 (2012)
Publication Year :
2012
Publisher :
International Union of Crystallography, 2012.

Abstract

The asymmetric unit of the title compound, C18H17ClN2O2·0.5H2O, contains two organic molecules and one solvent water molecule. In each organic molecule, the cyclohexene ring adopts an envelope conformation with the C atom connecting the two methyl groups on the flap; the 4H-pyran ring is nearly planar [maximum deviation = 0.113 (3) Å in one molecule and 0.089 (3) Å in the other molecule] and is approximately perpendicular to the chlorophenyl ring [dihedral angle = 86.43 (15)° in one molecule and 89.73 (15)° in the other molecule]. Intermolecular N—H...N, N—H...O, O—H...O and O—H...Cl hydrogen bonding is present in the crystal.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
68
Issue :
3
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.40dfceefc6dc4190971361f8819e0bb7
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536812003807