3-氧代-5-(哌啶-1-基)-2,3-二氢-1H-吡唑-4-腈
3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1H-pyrazole-4-carbonitrile.
作者信息
Al-Adiwish Wedad M, Yaacob W A, Adan D, Mohamed Tahir Mohamed Ibrahim, Kassim Mohammad B
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3318. doi: 10.1107/S1600536811047714. Epub 2011 Nov 16.
Abstract
In the title compound, C(9)H(12)N(4)O, the piperidine ring adopts a chair conformation and makes a dihedral angle of 42.49 (11)° with the approximately planar pyrazole moiety [maximum deviation = 0.038 (2) Å]. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds and a weak C-H⋯O inter-action link the mol-ecules into sheets lying parallel to (110).
摘要
在标题化合物C₉H₁₂N₄O中，哌啶环呈椅式构象，与近似平面的吡唑部分形成42.49 (11)°的二面角[最大偏差 = 0.038 (2) Å]。在晶体中，N—H⋯O和N—H⋯N氢键以及弱的C—H⋯O相互作用将分子连接成平行于(110)的片层。
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