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4-[3-(Trifluoro-meth-yl)phen-yl]-5,6,7,8-tetra-hydro-cinnolin-3(2H)-one.

ABSTRACT: The title compound, C(15)H(13)F(3)N(2)O, contains one benzene ring, one cyclo-hexane ring and a pyridazine ring. The dihedral angle formed by the pyridazine ring with the benzene ring is 61.5?(2)°. The crystal structure is stabilized by two inter-molecular hydrogen bonds (N-H?O and C-H?F). The cyclohexane ring adopts a screw-boat conformation. The CF(3) group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.

SUBMITTER: Wang X

PROVIDER: S-EPMC2960356 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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4-[3-(Trifluoro-meth-yl)phen-yl]-5,6,7,8-tetra-hydro-cinnolin-3(2H)-one.

Wang Xin X Zou Xiao-Mao XM Zhu You-Quan YQ Hu Xu-Hong XH Yang Hua-Zheng HZ

Acta crystallographica. Section E, Structure reports online 20080118 Pt 2

The title compound, C(15)H(13)F(3)N(2)O, contains one benzene ring, one cyclo-hexane ring and a pyridazine ring. The dihedral angle formed by the pyridazine ring with the benzene ring is 61.5 (2)°. The crystal structure is stabilized by two inter-molecular hydrogen bonds (N-H⋯O and C-H⋯F). The cyclohexane ring adopts a screw-boat conformation. The CF(3) group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. ...[more]

PMID: 21201490

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