5-Amino-7-(4-bromo-phen-yl)-3,7-di-hydro-2H-thieno[3,2-b]pyran-6-carbo-nitrile 1,1-dioxide.

Acta Crystallogr Sect E Struct Rep Online

School of Chemistry and Chemical Engineering, Xuzhou Normal University, Xuzhou 221116, People's Republic of China, and, Key Laboratory of Biotechnology for Medicinal Plants, Xuzhou Normal University, Xuzhou 221116, People's Republic of China.

Published: January 2010

In the title compound, C(14)H(11)BrN(2)O(3)S, the 2,3-dihydro-thio-phene ring is almost planar [maximum deviation = 0.006 (1) Å]. The pyran ring is in an envelope conformation [puckering parameters Q = 0.115 (2) Å, θ = 77.5 (10), ϕ = 172.9 (10)°]. The pyran and phenyl rings are approximately perpendicular, making a dihedral angle of -76.4 (2)°. The crystal packing is stabilized by inter-molecular N-H⋯O hydrogen bonds, with the sulfone O atoms acting as acceptors.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979727PMC
http://dx.doi.org/10.1107/S1600536809055214DOI Listing

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