Crystal and molecular structures of 1,4-dihydro-6-methyl-5-N,N-diethylcarbamoyl-4-phenyl-2(3H)-pyrimidinethione (1) and 1,4-dihydro-6-methyl-5-N-methyl carbamoyl-4-(2′-nitrophenyl)-2(3H)-pyrimidinethione hemihydrate (2)
✍ Scribed by K. Chandra Mohan; K. Ravikumar; Meera M. Shetty; S. Thiyagarajan; S.S. Rajan
- Book ID
- 110433495
- Publisher
- Springer
- Year
- 2003
- Tongue
- English
- Weight
- 103 KB
- Volume
- 33
- Category
- Article
- ISSN
- 1572-8854
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📜 SIMILAR VOLUMES
The title compound, C 13 H 14 N 4 O 3 SÁH 2 O, is an isomer of 1,4dihydro-6-methyl-5-(N-methylcarbamoyl)-4-(2-nitrophenyl)pyrimidine-2(3H)-thione. The nitro group is coplanar with the benzene ring to which it is attached. Intermolecular hydrogen bonds stabilize the crystal structure.
The title compound, C 13 H 15 NO 3 , contains a chiral cisdisubstituted oxazine linked to a phenyl ring at the C-2 atom. The racemic crystal structure is stabilized by both intra-and intermolecular C-HÁ Á ÁO hydrogen bonds.
The asymmetric unit of the title compound, C 16 H 19 Cl 2 N 3 OS, contains two crystallographically independent molecules, which have almost identical conformations. The dihydropyrimidine ring adopts a boat conformation in both molecules. N-HÁ Á ÁO and N-HÁ Á ÁS hydrogen bonds stabilize the crystal