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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 ZC, Shi JB, Tang WJ, Li J - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmacy, Anhui Medical University, Hefei 230032, People's Republic of China.

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.

No MeSH data available.


Molecular structure of the title compound, with the atomic numbering scheme, and displacement ellipsoids drawn at the 30% probability level.
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Fap2: Molecular structure of the title compound, with the atomic numbering scheme, and displacement ellipsoids drawn at the 30% probability level.


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

Lin ZC, Shi JB, Tang WJ, Li J - Acta Crystallogr Sect E Struct Rep Online (2008)

Molecular structure of the title compound, with the atomic numbering scheme, and displacement ellipsoids drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961230&req=5

Fap2: Molecular structure of the title compound, with the atomic numbering scheme, and displacement ellipsoids drawn at the 30% probability level.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmacy, Anhui Medical University, Hefei 230032, People's Republic of China.

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.

No MeSH data available.