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Crystal Structure of 2-Cyano-N-cyclohexylacetamide

机译:2-氰基-N-环己基乙酰胺的晶体结构

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The title compound, 2-cyano-N-cyclohexylacetamide, C9H14N2O, crystallizes in the monoclinic space group P21/n with the following unit-cell parameters: a = 12.057(2), b = 4.7671(8), c = 16.327(4)Å, β = 96.50(2)°, Z = 4. The crystal structure was elucidated by direct methods, and refined to a final R-value of 0.0765 for 1137 observed reflections. The cyclohexane ring adopts the chair conformation. Intermolecular hydrogen bonds of the type N-H…O and C-H…N have been observed.
机译:标题化合物2-氰基- N -环己基乙酰胺,C 9 H 14 N 2 O在具有以下晶胞参数的单斜空间群 P 2 1 / n : a = 12.057(2 ), b = 4.7671(8), c = 16.327(4)Å,β = 96.50(2)°, Z =4。通过直接方法阐明了晶体结构,并针对1137次观察到的反射将其精炼至最终的 R 值0.0765。环己烷环采用 chair 构象。已经观察到N-H…O和C-H…N类型的分子间氢键。

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