Suppr超能文献

2-苯基-8,9,10,11-四氢-1-苯并噻吩并[3,2-e][1,2,4]三唑并[1,5-c]嘧啶

2-Phenyl-8,9,10,11-tetra-hydro-1-benzo-thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine.

作者信息

Panchamukhi Shridhar I, Fathima Nikhath, Khazi I M, Begum Noor Shahina

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o777-8. doi: 10.1107/S1600536811007331. Epub 2011 Mar 5.

Abstract

In the title compound, C(17)H(14)N(4)S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclo-hexane ring adopts a half-chair conformation. In the crystal, pairs of inter-molecular C-H⋯N hydrogen bonds form centrosymmetric head-to-head dimers, corresponding to an R(2) (2)(8) graph-set motif. Further C-H⋯N inter-actions generate a zigzag chain of mol-ecules along the c axis. The supra-molecular assembly is consolidated by π-π stacking inter-actions [centroid-centroid distance = 3.445 (4) Å].

摘要

在标题化合物C(17)H(14)N(4)S中,苯并噻吩部分在嘧啶环的一端稠合,而带有苯基取代基的三唑环在另一侧稠合。三唑环几乎是平面的[最大偏差 = 0.0028 (3) Å],而环己烷环呈半椅式构象。在晶体中,分子间的C-H⋯N氢键对形成中心对称的头对头二聚体,对应于R(2) (2)(8) 图集模式。进一步的C-H⋯N相互作用沿c轴生成锯齿形分子链。超分子组装通过π-π堆积相互作用[质心-质心距离 = 3.445 (4) Å]得以巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/964e/3099952/2c44e0786761/e-67-0o777-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