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6-(4-Chlorophenyl)-9,9-dimethyl-3,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile

✍ Scribed by Chen, Dong-Qin ;Li, Chun-Mei ;Tu, Shu-Jiang

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
873 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 21 H 20 ClN 3 O 2 , was synthesized by the reaction of 4-chlorobenzaldehyde and 3-(5,5-dimethyl-3-oxocyclohex-1-enylamino)propanoic acid with malononitrile in ethylene glycol under microwave irradiation. The dihydropyridine ring has a boat conformation. The pyrimidine ring adopts a screw-boat conformation and the cyclohexene ring is in an envelope conformation. In the crystalline state, centrosymmetrically related molecules form dimeric pairs through N-HÁ Á ÁN hydrogen bonding. Weak C-HÁ Á ÁO hydrogen bonds are also observed.

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