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1-{3-(4-甲基-苯基)-5-[(E)-2-苯基-乙烯基]-4,5-二氢-1H-吡唑-1-基}乙-1-酮的晶体结构

Crystal structure of 1-{3-(4-methyl-phen-yl)-5-[(E)-2-phenyl-ethen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}ethan-1-one.

作者信息

Adam Farook, Smitha Kanathur, Charishma Sharath Poojary, Samshuddin Seranthimata, Ameram Nadiah

机构信息

School of Chemical Sciences, Universiti Sains Malaysia, 11800, Pulau Pinang, Malaysia.

Department of PG Studies in Chemistry, Alva's College, Moodbidri, Karnataka 574 227, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1095-6. doi: 10.1107/S2056989015024792. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015024792
PMID:26870516
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719997/
Abstract

The title compound, C20H20N2O, was studied as a part of our work on pyrazoline derivatives. It represents a trans-isomer. The central pyrazoline ring adopts an envelope conformation with the asymmetric C atom having the largest deviation of 0.107 (1) Å from the mean plane. It forms dihedral angles of 6.2 (1) and 86.4 (1)° with the adjacent p-tolyl and styrene groups, respectively. In the crystal, C-H⋯O inter-actions link mol-ecules into infinite chains along the c axis.

摘要

标题化合物C20H20N2O是我们关于吡唑啉衍生物研究工作的一部分。它代表一种反式异构体。中心吡唑啉环呈信封式构象,不对称碳原子与平均平面的最大偏差为0.107 (1) Å。它与相邻的对甲苯基和苯乙烯基分别形成6.2 (1)°和86.4 (1)°的二面角。在晶体中,C—H⋯O相互作用将分子沿c轴连接成无限链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52e4/4719997/18c31486092b/e-71-o1095-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52e4/4719997/8d2b0c060b55/e-71-o1095-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52e4/4719997/18c31486092b/e-71-o1095-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52e4/4719997/8d2b0c060b55/e-71-o1095-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52e4/4719997/18c31486092b/e-71-o1095-fig2.jpg

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