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1-(4-Fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate.

ABSTRACT: In the title compound, C(10)H(8)FN(3)O·0.5H(2)O, the dihedral angle between the mean planes of the rings is 99.80?(4)°. The water mol-ecule lies on a twofold axis. Weak inter-molecular O-H?N and C-H?O hydrogen bonds link one water mol-ecule with four phenyl-ethanone mol-ecules, while inter-molecular C-H?O hydrogen bonds involving the ketone group link phenyl-ethanone mol-ecules into layers parallel to (100).

SUBMITTER: Liu DL

PROVIDER: S-EPMC3238841 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

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1-(4-Fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate.

Liu Dong-Liang DL Li Chen C Tian Xin X Li Song S Xiao Tao T

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

In the title compound, C(10)H(8)FN(3)O·0.5H(2)O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water mol-ecule lies on a twofold axis. Weak inter-molecular O-H⋯N and C-H⋯O hydrogen bonds link one water mol-ecule with four phenyl-ethanone mol-ecules, while inter-molecular C-H⋯O hydrogen bonds involving the ketone group link phenyl-ethanone mol-ecules into layers parallel to (100). ...[more]

PMID: 22199694

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