Suppr超能文献

3-[4-(苄氧基)苯基]-2,3-二氢-1H-苯并[f]色烯-1-酮的晶体结构

Crystal structure of 3-[4-(benz-yloxy)phen-yl]-2,3-di-hydro-1H-benzo[f]chromen-1-one.

作者信息

Vasanthi R, Reuben Jonathan D, Ezhilarasi K S, Sathya S, Usha G

机构信息

PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India.

Department of Chemistry, Madras Christian College, Chennai-59, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 20;70(Pt 10):o1116-7. doi: 10.1107/S1600536814020868. eCollection 2014 Oct 1.

Abstract

In the title compound, C26H20O3, the pyran ring has a distorted half-chair conformation and its mean plane is inclined to the naphthalene ring system, to which it is fused, by 10.79 (9)°. The dihedral angles between the napthalene unit and the benzene and phenyl rings are 54.39 (9) and 52.65 (12)°, respectively, while the benzene and phenyl rings are inclined to one another by 74.80 (14)°. There is a short C-H⋯O contact in the chromen-1-one unit. In the crystal, mol-ecules are linked by two pairs of C-H⋯O hydrogen bonds, forming inversion dimers described by graph set motifs R 2 (2)(8) and R 2 (2)(10), giving rise to chains running parallel to (101). The chains are linked via C-H⋯π inter-actions, forming sheets lying parallel to (010).

摘要

在标题化合物C₂₆H₂₀O₃中,吡喃环具有扭曲的半椅构象,其平均平面与稠合的萘环体系倾斜10.79 (9)°。萘单元与苯环和苯环之间的二面角分别为54.39 (9)°和52.65 (12)°,而苯环和苯环相互倾斜74.80 (14)°。色酮-1-酮单元中存在短的C-H⋯O接触。在晶体中,分子通过两对C-H⋯O氢键相连,形成由图集合 motif R 2 (2)(8) 和R 2 (2)(10) 描述的反演二聚体,产生平行于(101) 的链。这些链通过C-H⋯π相互作用相连,形成平行于(010) 的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfc8/4257196/697b36528f07/e-70-o1116-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