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2-[4-苄基-5-(2-呋喃基)-4H-1,2,4-三唑-3-基硫烷基]乙酰胺

2-[4-Benzyl-5-(2-fur-yl)-4H-1,2,4-triazol-3-ylsulfan-yl]acetamide.

作者信息

Zareef Muhammad, Iqbal Rashid, Arfan Muhammad, Parvez Masood

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 13;64(Pt 7):o1259. doi: 10.1107/S1600536808017170.

Abstract

In the title compound, C(15)H(14)N(4)O(2)S, the phenyl ring is inclined at 70.25 (6)° with respect to the approximately planar fur-yl-triazolsulfan-yl-acetamide unit. In the crystal structure, mol-ecules related by inversion centers form dimers via inter-molecular N-H⋯O hydrogen bonds between acetamide groups, resulting in eight-membered rings with an R(2) (2)(8) motif. In addition, the other H atom of the acetamide group is involved in an inter-molecular hydrogen bond with an N atom of the triazole ring, resulting in chains extended along the c axis. The overall effect is the formation of a hydrogen-bonded two-dimensional framework perpendicular to the a axis.

摘要

在标题化合物C₁₅H₁₄N₄O₂S中,苯环相对于近似平面的呋喃基 - 三唑硫烷基 - 乙酰胺单元倾斜70.25 (6)°。在晶体结构中,通过反演中心相关的分子通过乙酰胺基团之间的分子间N - H⋯O氢键形成二聚体,形成具有R₂²(8) motif的八元环。此外,乙酰胺基团的另一个H原子与三唑环的一个N原子形成分子间氢键,导致沿c轴延伸的链。总体效果是形成垂直于a轴的氢键二维框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ca5/2961744/3d3c2dc200a0/e-64-o1259-fig1.jpg

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