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2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile hemihydrate
- 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 :
- Crystallography
QD901-999
Subjects
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