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7-Fluoro-2-(prop-2-en-1-ylsulfan-yl)-3-(1H-1,2,4-triazol-1-yl)-4H-thio-chromen-4-one.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(10)FN(3)OS(2), contains two independent mol-ecules which differ in the relative orientations of the triazole and allyl-sulfanyl groups with respect to the planar thio-chromen-4-one frameworks. The N-N-C-C torsion angles are 128.2?(5) and -120.9?(5)°, while the C-S-C-S torsion angles are -17.4?(4) and 16.4?(4)°. In the crystal, inter-molecular C-H?O and C-H?N hydrogen bonds link the mol-ecules in a stacked arrangement along the a axis.

SUBMITTER: Liu DL 

PROVIDER: S-EPMC3151981 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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7-Fluoro-2-(prop-2-en-1-ylsulfan-yl)-3-(1H-1,2,4-triazol-1-yl)-4H-thio-chromen-4-one.

Liu Dong-Liang DL   Xiao Tao T   Li Yang Y   Yu Guang-Yan GY   Li Chen C  

Acta crystallographica. Section E, Structure reports online 20110622 Pt 7

The asymmetric unit of the title compound, C(14)H(10)FN(3)OS(2), contains two independent mol-ecules which differ in the relative orientations of the triazole and allyl-sulfanyl groups with respect to the planar thio-chromen-4-one frameworks. The N-N-C-C torsion angles are 128.2 (5) and -120.9 (5)°, while the C-S-C-S torsion angles are -17.4 (4) and 16.4 (4)°. In the crystal, inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules in a stacked arrangement along the a axis. ...[more]

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