N-乙基-2-[1-(2-羟基-4-甲基苯基)亚乙基]肼基硫代甲酰胺
N-Ethyl-2-[1-(2-hy-droxy-4-methyl-phen-yl)ethyl-idene]hydrazinecarbo-thio-amide.
作者信息
Anderson Brian J, Hall Jeffrey R, Jasinski Jerry P
机构信息
Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 May 31;70(Pt 6):o735. doi: 10.1107/S1600536814012203. eCollection 2014 Jun 1.
The title compound, C12H17N3OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the hydrazinecarbo-thio-amide group are 6.9 (4) and 37.2 (5)° in mol-ecules A and B, respectively. An intra-molecular O-H⋯N hydrogen bond is observed in each mol-ecule. This serves to maintain an approximately planar conformation for mol-ecule A, but leaves a significant twist between these two groups in mol-ecule B. In the crystal, a weak N-H⋯S inter-action is observed, forming inversion dimers among the B mol-ecules and resulting in an R 2 (2)(8) motif. These dimers are further inter-connected by weak N-H⋯O and C-H⋯O inter-molecular inter-actions, forming chains along [011].
标题化合物C₁₂H₁₇N₃OS在不对称单元中以两个独立分子（A和B）结晶。在分子A和B中，苯环与肼基碳硫酰胺基团平均平面之间的二面角分别为6.9（4）°和37.2（5）°。在每个分子中均观察到分子内O—H⋯N氢键。这有助于分子A保持近似平面构象，但分子B中这两个基团之间存在明显扭曲。在晶体中，观察到弱的N—H⋯S相互作用，在B分子之间形成反演二聚体，产生R₂²(8) motif。这些二聚体通过弱的N—H⋯O和C—H⋯O分子间相互作用进一步相互连接，沿[011]形成链。
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