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

ABSTRACT: The title compound, C(14)H(11)ClN(2)O(3)S, with fused thiophene and pyran rings, was synthesized via the condensation of dihydro-thio-phen-3(2H)-one 1,1-dioxide and 2-(3-chloro-benz-yl-idene)malononitrile catalysed by triethyl-amine in ethanol. The thio-phene ring adopts an envelope conformation and the pyran ring is planar (r.m.s. deviation = 0.0067?Å). The dihedral angle between the pyran and phenyl rings is 80.8?(1)°. The crystal packing is stabilized by inter-molecular N-H?N and N-H?O hydrogen bonds in which the cyano N and sulphone O atoms, respectively, acting as acceptors.

SUBMITTER: Shen SD

PROVIDER: S-EPMC2979823 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Shen Shi-De SD Feng Xiao-Dong XD Yang Wei-Hua WH Wang Cui-Hua CH Yao Chang-Sheng CS

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

The title compound, C(14)H(11)ClN(2)O(3)S, with fused thiophene and pyran rings, was synthesized via the condensation of dihydro-thio-phen-3(2H)-one 1,1-dioxide and 2-(3-chloro-benz-yl-idene)malononitrile catalysed by triethyl-amine in ethanol. The thio-phene ring adopts an envelope conformation and the pyran ring is planar (r.m.s. deviation = 0.0067 Å). The dihedral angle between the pyran and phenyl rings is 80.8 (1)°. The crystal packing is stabilized by inter-molecular N-H⋯N and N-H⋯O hydrog ...[more]

PMID: 21579718

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