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

ABSTRACT: 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, ? = 77.5?(10), ? = 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.

SUBMITTER: Yu CX

PROVIDER: S-EPMC2979727 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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

Yu Chen-Xia CX Feng Xiao-Dong XD Jiang Bei B Wang Cui-Hua CH Yao Chang-Sheng CS

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

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. ...[more]

PMID: 21579705

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