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(1-苯基-1H-1,2,3-三唑-4-基)甲基吡啶-3-羧酸酯

(1-Phenyl-1H-1,2,3-triazol-4-yl)methyl pyridine-3-carboxyl-ate.

作者信息

Karimov Zakirjon, Abdugafurov Ibrakhim, Talipov Samat, Tashkhodjaev Bakhodir

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):o1674. doi: 10.1107/S1600536810021999.

Abstract

In the title compound, C(15)H(12)N(4)O(2), the dihedral angle between the planes of the nicotino-yloxy fragment and triazole ring is 88.61 (5)°. The dihedral angle between the planes of triazole and benzene rings is 16.54 (11)°. The crystal structure is stabilized by inter-molecular C-H⋯N, C-H⋯O and C-H⋯π(triazole) hydrogen bonds and aromatic π-π stacking inter-actions between the benzene and triazole rings [centroid-centroid distance = 3.895 (1) Å].

摘要

在标题化合物C(15)H(12)N(4)O(2)中,烟酰氧基片段平面与三唑环平面之间的二面角为88.61 (5)°。三唑环平面与苯环平面之间的二面角为16.54 (11)°。晶体结构通过分子间C-H⋯N、C-H⋯O和C-H⋯π(三唑)氢键以及苯环与三唑环之间的芳香π-π堆积相互作用得以稳定[质心-质心距离 = 3.895 (1) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fbe6/3007003/350b9bd8b036/e-66-o1674-fig1.jpg

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