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2-Phenyl-4H-3,1-benzoxazin-4-one.

ABSTRACT: The title mol-ecule, C(14)H(9)NO(2), is nearly planar with a dihedral angle of 3.72?(4)° beteewn the plane of the phenyl ring and the 3,1-benzoxazin-4-one fragment. The mol-ecules are arranged into stacks parallel to the b axis via ?-? stacking inter-actions [centroid-centroid distance = 4.2789?(11)?Å] and the crystal packing is additionally stabilized by weak inter-molecular C-H?O inter-actions.

SUBMITTER: Thilagavathy R

PROVIDER: S-EPMC2968047 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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2-Phenyl-4H-3,1-benzoxazin-4-one.

Thilagavathy R R Kavitha Helen P HP Arulmozhi R R Vennila Jasmine P JP Manivannan V V

Acta crystallographica. Section E, Structure reports online 20081217 Pt 1

The title mol-ecule, C(14)H(9)NO(2), is nearly planar with a dihedral angle of 3.72 (4)° beteewn the plane of the phenyl ring and the 3,1-benzoxazin-4-one fragment. The mol-ecules are arranged into stacks parallel to the b axis via π-π stacking inter-actions [centroid-centroid distance = 4.2789 (11) Å] and the crystal packing is additionally stabilized by weak inter-molecular C-H⋯O inter-actions. ...[more]

PMID: 21581588

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