4-氨基-6-(哌啶-1-基)嘧啶-5-甲腈
4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbo-nitrile.
作者信息
Bhat Radhika, Shraddha K N, Begum Noor Shahina
机构信息
Department of studies in Chemistry, Bangalore University, Jnana Bharathi Campus, Bangalore-560 056, Karnataka, India.
出版信息
IUCrdata. 2020 Mar 17;5(Pt 3):x200385. doi: 10.1107/S2414314620003855. eCollection 2020 Mar.
In the title compound, CHN, the piperidine ring adopts a chair conformation with the exocyclic N-C bond in an axial orientation, and the dihedral angle between the mean planes of piperidine and pyrimidine rings is 49.57 (11)°. A short intra-molecular C-H⋯N contact generates an (7) ring. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into (100) sheets and a weak aromatic π-π stacking inter-action is observed [centroid-centroid separation = 3.5559 (11) Å] between inversion-related pyrimidine rings.
在标题化合物CHN中，哌啶环呈椅式构象，环外N-C键处于轴向，哌啶环与嘧啶环平均平面之间的二面角为49.57 (11)°。分子内短的C-H⋯N接触形成一个（7）环。在晶体中，N-H⋯N氢键将分子连接成（100）层，并且在反演相关的嘧啶环之间观察到弱的芳香π-π堆积相互作用[质心-质心间距 = 3.5559 (11) Å]。
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