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3-Phenyl-1H-pyrrolo[2,1-c][1,4]oxazin-1-one.

ABSTRACT: The mol-ecule of the title compound, C(13)H(9)NO(2), is slightly twisted with a dihedral angle of 4.85?(9)° between the nine-membered ring system and the phenyl ring. The nine non-H atoms of the 1H-pyrrolo[2,1-c][1,4]oxazin-1-one system are coplanar [r.m.s. deviation = 0.0122?(2)?Å]. In the crystal, weak inter-molecular C-H?O inter-actions link mol-ecules into chains along [10]. The crystal studied was an inversion twin with a 0.48624?(9):0.51376?(9) domain ratio.

SUBMITTER: Khan ST

PROVIDER: S-EPMC2979495 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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3-Phenyl-1H-pyrrolo[2,1-c][1,4]oxazin-1-one.

Khan Salman Tariq ST Yu Peng P Chantrapromma Suchada S Guo Yong-En YE Afza Nighat N

Acta crystallographica. Section E, Structure reports online 20100526 Pt 6

The mol-ecule of the title compound, C(13)H(9)NO(2), is slightly twisted with a dihedral angle of 4.85 (9)° between the nine-membered ring system and the phenyl ring. The nine non-H atoms of the 1H-pyrrolo[2,1-c][1,4]oxazin-1-one system are coplanar [r.m.s. deviation = 0.0122 (2) Å]. In the crystal, weak inter-molecular C-H⋯O inter-actions link mol-ecules into chains along [10]. The crystal studied was an inversion twin with a 0.48624 (9):0.51376 (9) domain ratio. ...[more]

PMID: 21579537

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