Suppr超能文献

4-{[(1H-1,2,4-三唑-1-基)甲基]硫基}苯酚的晶体结构

Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth-yl]sulfan-yl}phenol.

作者信息

Zhang Yong-Le, Zhang Chuang, Guo Wei, Wang Jing

机构信息

School of Pharmaceutial Science, Hebei Medical University, Shijiazhuang 050017, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 13;70(Pt 10):o1106. doi: 10.1107/S1600536814019965. eCollection 2014 Oct 1.

Abstract

In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds involving the phenol -OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C-H⋯N hydrogen-bond inter-actions. Aromatic π-π stacking [centroid-centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

摘要

在标题化合物C₉H₉N₃OS中,苯环平面与三唑基团平面形成33.40 (5)°的二面角。在晶体中,分子通过涉及酚羟基和三唑环中一个未取代氮原子的O-H⋯N氢键相连,形成沿[010]方向的链。这些链通过弱C-H⋯N氢键相互作用进一步延伸成平行于(001)的层。三唑环之间的芳香π-π堆积[质心-质心间距 = 3.556 (1) Å]将这些层连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ded6/4257201/3f90b0de2ab0/e-70-o1106-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验