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(Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza-bicyclo-[4.2.0]octane-2,4-dione.

ABSTRACT: The title compound, C(20)H(20)N(2)O(3), is a head-to-tail oxetane, one of the regioisomers obtained by the the Paternó-Büchi reaction of 1,3-dimethyl-thymine with benzophenone. The oxetane ring is folded, the dihedral angle between the C-O-C and C-C-C planes being 14.4?(2)°. The dihedral angle between the two phenyl rings is 64.3?(2)°. The pyrimidine ring adopts a boat conformation. The crystal structure involves weak C-H?O hydrogen bonds.

SUBMITTER: Lin ZC

PROVIDER: S-EPMC2961230 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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(Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza-bicyclo-[4.2.0]octane-2,4-dione.

Lin Zhi-Cai ZC Shi Jing-Bo JB Tang Wen-Jian WJ Li Jun J

Acta crystallographica. Section E, Structure reports online 20080404 Pt 5

The title compound, C(20)H(20)N(2)O(3), is a head-to-tail oxetane, one of the regioisomers obtained by the the Paternó-Büchi reaction of 1,3-dimethyl-thymine with benzophenone. The oxetane ring is folded, the dihedral angle between the C-O-C and C-C-C planes being 14.4 (2)°. The dihedral angle between the two phenyl rings is 64.3 (2)°. The pyrimidine ring adopts a boat conformation. The crystal structure involves weak C-H⋯O hydrogen bonds. ...[more]

PMID: 21202288

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