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3,3'-双(4-氯苯基)-2,2'-(间苯二氧基)二喹唑啉-4(3H)-酮

3,3'-Bis(4-chloro-phen-yl)-2,2'-(m-phenyl-enedi-oxy)diquinazolin-4(3H)-one.

作者信息

Yang Hai-Zhou, Gao Hai-Tao, Yang Xu-Hong

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o59-60. doi: 10.1107/S1600536808040567.

DOI:10.1107/S1600536808040567
PMID:21581700
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967973/
Abstract

In the title compound, C(34)H(20)Cl(2)N(4)O(4), the two quinazoline heterocyclic systems and the adjacent chloro-benzene rings are not coplanar, but oriented at dihedral angles of 66.66 (13) and 52.48 (12)°, respectively. The quinazoline ring systems are nearly planar, with dihedral angles between the planes of the two rings of 5.43 (16) and 3.40 (14)°, and are oriented at dihedral angles of 79.73 (13) and 83.52 (13)° with respect to the adjacent benzene ring between them. Inter-molecular C-H⋯O hydrogen bonds contribute to the stability of the structure. In addition, weak π-π stacking inter-actions [centroid-to-centroid distances = 3.872 (1) and 3.876 (1) Å] are observed in the crystal structure.

摘要

在标题化合物C(34)H(20)Cl(2)N(4)O(4)中，两个喹唑啉杂环系统和相邻的氯苯环不共面，而是分别以66.66 (13)°和52.48 (12)°的二面角取向。喹唑啉环系统近乎平面，两个环平面之间的二面角为5.43 (16)°和3.40 (14)°，并且相对于它们之间相邻的苯环以79.73 (13)°和83.52 (13)°的二面角取向。分子间的C-H⋯O氢键有助于结构的稳定性。此外，在晶体结构中观察到弱的π-π堆积相互作用[质心到质心距离 = 3.872 (1) 和3.876 (1) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dca8/2967973/17907ed0d475/e-65-00o59-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dca8/2967973/fda404493fd8/e-65-00o59-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dca8/2967973/17907ed0d475/e-65-00o59-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dca8/2967973/fda404493fd8/e-65-00o59-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dca8/2967973/17907ed0d475/e-65-00o59-fig2.jpg

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