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4-(4-甲基苯基)-2-(2-丙炔-1-基)酞嗪-1(2H)-酮

4-(4-Methyl-phen-yl)-2-(prop-2-yn-1-yl)phthalazin-1(2H)-one.

作者信息

Usha M K, Madan Kumar S, Shyma P C, Kalluraya B, Lokanath N K, Revannasiddaiah D

机构信息

Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India.

Department of Studies in Chemistry, Mangalore University, Mangalagangotri, Mangalore 574 199, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 15;70(Pt 2):o138. doi: 10.1107/S1600536813034880. eCollection 2014 Feb 1.

DOI:10.1107/S1600536813034880
PMID:24764864
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998303/
Abstract

In the title compound, C18H14N2O, the dihedral angle between the methyl-phenyl ring and the phthalazone ring system (r.m.s. deviation = 0.034 Å) is 53.93 (9)°. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds, forming chains along [101]. The chains are linked by π-π inter-actions [centroid-centroid distance 3.6990 (12) Å], forming layers parallel to (10-1).

摘要

在标题化合物C₁₈H₁₄N₂O中,甲基苯基环与酞嗪环系统之间的二面角(均方根偏差 = 0.034 Å)为53.93 (9)°。在晶体中,分子通过C—H⋯O氢键相连,沿[101]方向形成链状结构。这些链通过π-π相互作用[质心-质心距离3.6990 (12) Å]相连,形成平行于(10-1)的层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb31/3998303/69336cca05b6/e-70-0o138-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb31/3998303/ce92865687d8/e-70-0o138-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb31/3998303/69336cca05b6/e-70-0o138-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb31/3998303/ce92865687d8/e-70-0o138-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb31/3998303/69336cca05b6/e-70-0o138-fig2.jpg

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