4-（嘧啶-2-基）哌嗪-1-鎓氯化物和4-（嘧啶-2-基）哌嗪-1-鎓硝酸盐的晶体结构
Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate.
作者信息
Yamuna Thammarse S, Jasinski Jerry P, Kaur Manpreet, Anderson Brian J, Yathirajan H S
机构信息
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
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 Sep 13;70(Pt 10):203-6. doi: 10.1107/S1600536814020169. eCollection 2014 Oct 1.
The title salts, C8H13N4 (+)·Cl(-), (I), and C8H13N4 (+)·NO3 (-), (II), contain linked pyridinium-piperazine heterocycles. In both salts, the piperazine ring adopts a chair conformation with protonation at the N atom not linked to the other ring. In the crystal of (I), weak N-H⋯Cl inter-actions are observed, leading to zigzag chains along [100]. In the crystal of (II), both H atoms on the NH2 (+) group form bifurcated N-H⋯(O,O) hydrogen bonds. Weak C-H⋯O inter-actions are also observed. These bonds collectively link the components into infinite chains along [100].
标题盐C₈H₁₃N₄⁺·Cl⁻（I）和C₈H₁₃N₄⁺·NO₃⁻（II）包含相连的吡啶鎓-哌嗪杂环。在这两种盐中，哌嗪环呈椅式构象，质子化发生在未与另一个环相连的N原子上。在（I）的晶体中，观察到弱的N-H⋯Cl相互作用，沿[100]方向形成锯齿链。在（II）的晶体中，NH₂⁺基团上的两个H原子都形成分叉的N-H⋯(O,O)氢键。还观察到弱的C-H⋯O相互作用。这些键共同将各组分沿[100]方向连接成无限链。
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