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5-[4-(二甲基氨基)-苯基]-3-(4-甲基苯基)-4,5-二氢-1H-吡唑-1-甲醛的晶体结构

Crystal structure of 5-[4-(di-methyl-amino)-phen-yl]-3-(4-methyl-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.

作者信息

Adam Farook, Samshuddin Seranthimata, Ameram Nadiah, Samartha Laxminarayana

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 9;71(Pt 12):o1031-2. doi: 10.1107/S2056989015023294. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015023294
PMID:26870482
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719963/
Abstract

The title compound, C19H21N3O, comprises a central pyrazole ring which is N-connected to an aldehyde group and C-connected twice to substituted benzene rings. The pyrazole ring is twisted on the C-C single bond, and the least-squares plane through this ring forms dihedral angles of 82.44 (5) and 4.52 (5)° with the (di-methyl-amino)-benzene and p-tolyl rings, respectively. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules into supra-molecular tubes along the b axis.

摘要

标题化合物C19H21N3O包含一个中心吡唑环，该环通过氮与一个醛基相连，并通过碳两次与取代苯环相连。吡唑环在碳-碳单键上扭曲，通过该环的最小二乘平面分别与（二甲基氨基）苯环和对甲苯基环形成82.44 (5)°和4.52 (5)°的二面角。在晶体中，弱的C-H⋯O氢键沿着b轴将分子连接成超分子管。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a827/4719963/103b705f3277/e-71-o1031-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a827/4719963/38f17caa7dc6/e-71-o1031-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a827/4719963/103b705f3277/e-71-o1031-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a827/4719963/38f17caa7dc6/e-71-o1031-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a827/4719963/103b705f3277/e-71-o1031-fig2.jpg

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本文引用的文献

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