Lyakhov Alexander S, Voitekhovich Sergei V, Gaponik Pavel N, Ivashkevich Ludmila S
Physico-Chemical Research Institute, Belarusian State University, Leningradskaya Str. 14, Minsk 220050, Belarus.
Acta Crystallogr C. 2004 Apr;60(Pt 4):o293-4. doi: 10.1107/S0108270104005554. Epub 2004 Mar 31.
In the molecule of the title 1,5-disubstituted tetrazole, C(13)H(17)N(5), the tetrazole and benzene rings are not coplanar, having a dihedral angle of 42.96 (5) degrees between them. The piperidine fragment adopts a chair conformation, and there is a non-classical intramolecular contact between the benzene H atom and the piperidine N atom. Intermolecular C-H...pi interactions involving the piperidine C-H groups and the benzene rings are responsible for the formation of two-dimensional networks, extending parallel to the ab plane. These networks are linked together into a three-dimensional polymeric structure via pi-pi stacking interactions between the tetrazole rings of two adjacent molecules.
在标题化合物1,5 - 二取代四唑C(13)H(17)N(5)的分子中，四唑环和苯环不共面，它们之间的二面角为42.96(5)°。哌啶片段呈椅式构象，苯环上的氢原子与哌啶环上的氮原子之间存在非经典的分子内接触。涉及哌啶C - H基团和苯环的分子间C - H...π相互作用导致形成了平行于ab平面延伸的二维网络。通过两个相邻分子的四唑环之间的π - π堆积相互作用，这些网络连接在一起形成三维聚合物结构。
