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Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio-chromen-2-yl]sulfan-yl}acetate.

ABSTRACT: In the title compound, C(15)H(12)FN(3)O(3)S(2), the two six-membered rings are essentially coplanar, their mean plnes making a dihedral angle of 1.1?(2)°. The carbonyl C, the two attached non-fused C atoms and the S atom deviate from the plane of the benzene ring by -0.046?(5), -0.017?(5), 0.000?(6), 0.026?(4)?Å, respectively. The angle between the mean planes of the triazole ring and the sulfur heterocycle is 53.3?(1)°. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules in a stacked arrangement along the a axis.

SUBMITTER: Li Y 

PROVIDER: S-EPMC3007513 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thio-chromen-2-yl]sulfan-yl}acetate.

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

Acta crystallographica. Section E, Structure reports online 20100721 Pt 8

In the title compound, C(15)H(12)FN(3)O(3)S(2), the two six-membered rings are essentially coplanar, their mean plnes making a dihedral angle of 1.1 (2)°. The carbonyl C, the two attached non-fused C atoms and the S atom deviate from the plane of the benzene ring by -0.046 (5), -0.017 (5), 0.000 (6), 0.026 (4) Å, respectively. The angle between the mean planes of the triazole ring and the sulfur heterocycle is 53.3 (1)°. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules in  ...[more]

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