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1,1-Bis(4-fluoro-phen-yl)-3,4-dihydro-1H-1,3-oxazino[3,4-a]indole.

ABSTRACT: The title compound, C(23)H(17)F(2)NO, which crystallizes with two independent mol-ecules in the asymmetric unit, was prepared by the cyclization of 4-[2-bis-(4-fluoro-phen-yl)methyl-eneamino]but-3-yn-1-ol at room temperature. The mol-ecules display a tripod conformation. The two fluoro-phenyl rings make dihedral angles of 79.26?(2) and 85.87?(1)° [86.53?(1) and 83.67?(2)° in the second mol-ecule] with the indole ring, and the dihedral angles between the fluoro-phenyl rings are 67.74?(2) and 66.33?(2)°, respectively. Furthermore, the indole rings are located on the edge of the respective oxazine half-chair ring systems. Nonconventional C-H?? contacts between indole and fluoro-phenyl rings are observed.

SUBMITTER: Fu W

PROVIDER: S-EPMC2959698 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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1,1-Bis(4-fluoro-phen-yl)-3,4-dihydro-1H-1,3-oxazino[3,4-a]indole.

Fu Weijun W Deng Dongsheng D Hong Dongfeng D Wang Zhiqiang Z Ji Baoming B

Acta crystallographica. Section E, Structure reports online 20081031 Pt 11

The title compound, C(23)H(17)F(2)NO, which crystallizes with two independent mol-ecules in the asymmetric unit, was prepared by the cyclization of 4-[2-bis-(4-fluoro-phen-yl)methyl-eneamino]but-3-yn-1-ol at room temperature. The mol-ecules display a tripod conformation. The two fluoro-phenyl rings make dihedral angles of 79.26 (2) and 85.87 (1)° [86.53 (1) and 83.67 (2)° in the second mol-ecule] with the indole ring, and the dihedral angles between the fluoro-phenyl rings are 67.74 (2) and 66.3 ...[more]

PMID: 21581082

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