Suppr超能文献

5,5'-双(萘-2-基)-2,2'-联(1,3,4-恶二唑)

5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole).

作者信息

Wang Haitao, Jia Xiaoshi, Qu Songnan, Bai Binglian, Li Min

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3360. doi: 10.1107/S1600536811048513. Epub 2011 Nov 19.

Abstract

The title mol-ecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-mol-ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These mol-ecules are π-stacked along the crystallographic a axis, with an inter-planar distance of 3.337 (1) Å. Adjacent mol-ecules are slipped from the 'ideal' cofacial π-stack in both the long and short mol-ecular axis (the long mol-ecular axis is defined as the line through the naphthalene C atom in the 6-position and the mol-ecular center, the short mol-ecular axis is in the mol-ecular plane perpendicular to it). The slip distance along the long mol-ecular axis (S(1)) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S(2), along the short mol-ecular axis) is 1.159 (8) Å.

摘要

标题分子C(24)H(14)N(4)O(2)位于一个倒转中心上,不对称单元包含半个分子。萘环系统相对于恶二唑环略有扭曲,二面角为1.36 (6)°。这些分子沿晶体学a轴进行π堆积,平面间距为3.337 (1) Å。相邻分子在长分子轴和短分子轴上均偏离“理想”的共面π堆积(长分子轴定义为通过6位萘碳原子和分子中心的直线,短分子轴位于与其垂直的分子平面内)。沿长分子轴的滑移距离(S(1))为7.064 (1) Å,几乎是两个环长度的位移。侧向滑移(S(2),沿短分子轴)为1.159 (8) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a991/3239005/13548e700064/e-67-o3360-fig1.jpg

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验