1-甲基-1H-1,2,3-三唑-4-羧酸甲酯
Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl-ate.
作者信息
Khan F Nawaz, Prabakaran K, Roopan S Mohana, Hathwar Venkatesha R, Akkurt Mehmet
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 May 26;66(Pt 6):o1468. doi: 10.1107/S1600536810019173.
Abstract
The title mol-ecule, C(5)H(7)N(3)O(2), has an almost planar conformation, with a maximum deviation of 0.043 (3) Å, except for the methyl H atoms. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. Inter-molecular π-π stacking inter-actions [centroid-centroid distances = 3.685 (2) and 3.697 (2) Å] are observed between the parallel triazole rings.
摘要
标题分子C(5)H(7)N(3)O(2)除甲基氢原子外具有几乎平面的构象，最大偏差为0.043 (3) Å。在晶体结构中，分子间C-H⋯O氢键将分子连接成平行于bc平面的层。在平行的三唑环之间观察到分子间π-π堆积相互作用[质心-质心距离 = 3.685 (2) 和3.697 (2) Å]。
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