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Asymmetric Molecules in the Polymorph of 2-Amino-4,5,6,7-tetrahydrobenzo-[b]thiophene-3-carbonitrile

机译:2-氨基-4,5,6,7-四氢苯并-[b]噻吩-3-甲腈多晶型物中的不对称分子

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The title compound, 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, C9H10N2S, crystallizes in the monoclinic space group P21/c with unit-cell parameters: a = 13.3994(11), b = 17.0170(16), c = 7.9319(8)Å, β = 90.051(9)°, Z = 8. The asymmetric unit of the title compound, C9H10N2S, contains two crystalographiclly independent molecules, A and B; the cyclohexene rings in both molecules exhibits the half-chair conformation. The packing of the molecules is stabilized by a few N-H…N interactions, which are arranged in such a manner as to form chains.
机译:标题化合物2-氨基-4,5,6,7-四氢苯并[ b ]噻吩-3-腈,C 9 H 10 N 2 S,在具有单位晶胞参数的单斜空间群 P 2 1 / c 中结晶: a = 13.3994(11), b = 17.0170(16), c = 7.9319(8)Å,β = 90.051(9)°, Z =8。标题化合物的不对称单元C 9 H 10 N 2 S包含两个晶体学独立的分子A和B;两个分子中的环己烯环均显示半椅构象。分子的堆积通过一些N-H…N相互作用而稳定,这些相互作用以形成链的方式排列。

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