Suppr超能文献

1-(4-异丙基苯基)-5-(4-甲氧基苯基)吡唑烷-3-酮

1-(4-Isopropyl-phen-yl)-5-(4-methoxy-phen-yl)pyrazolidin-3-one.

作者信息

Jia Hong-Sheng, Li Yu-Feng, Liu Yuan-Yuan, Liu Shan, Zhu Hong-Jun

机构信息

Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 16;64(Pt 5):o855. doi: 10.1107/S1600536808009823.

Abstract

In the mol-ecule of the title compound, C(19)H(22)N(2)O(2), the pyrazolidinone ring has an envelope conformation, with the C atom attached to the 4-methoxy-phenyl ring displaced by 0.354 (3) Å from the plane of the other ring atoms. The 4-iso-propyl-phenyl ring is oriented with respect to the 4-meth-oxy-phenyl ring at a dihedral angle of 88.94 (3)°. Intra-molecular C-H⋯N hydrogen bonds result in the formation of two planar five-membered rings, which are oriented with respect to the adjacent 4-isopropyl-phenyl and 4-meth-oxy-phenyl rings at dihedral angles of 4.05 (3) and 0.50 (3)°, respectively. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

摘要

在标题化合物C(19)H(22)N(2)O(2)的分子中,吡唑啉酮环呈信封式构象,与4-甲氧基苯基环相连的C原子偏离其他环原子平面0.354 (3) Å。4-异丙基苯基环相对于4-甲氧基苯基环的二面角为88.94 (3)°。分子内C-H⋯N氢键导致形成两个平面五元环,它们相对于相邻的4-异丙基苯基环和4-甲氧基苯基环的二面角分别为4.05 (3)°和0.50 (3)°。在晶体结构中,分子间N-H⋯O氢键将分子连接成中心对称的二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4668/2961278/ac3a51aee69a/e-64-0o855-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