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4-氯-5-（二甲基氨基）-2-[(5-苯基-1,3,4-恶二唑-2-基)甲基]哒嗪-3(2)-酮

4-Chloro-5-(di-methyl-amino)-2-[(5-phenyl-1,3,4-oxa-diazol-2-yl)meth-yl]pyridazin-3(2)-one.

作者信息

Song Jingjing, Jiang Xinyu, Wang Ziyi, Pei Jingyao, Li Hongsen

机构信息

College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, 333 Longteng Road, Shanghai, People's Republic of China.

出版信息

IUCrdata. 2022 Mar 31;7(Pt 3):x220342. doi: 10.1107/S241431462200342X. eCollection 2022 Mar.

DOI:10.1107/S241431462200342X
PMID:36339802
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462019/
Abstract

In the structure of the title compound, CHClNO, the terminal phenyl ring and the adjacent furan ring subtend a dihedral angle of 6.77 (17)°. The 4-chloro-5-(di-methyl-amino)-pyridazin-3(2)-one group is linked to the oxa-diazole ring by a methyl-ene bridge, and the dihedral angle between the pyridazine and oxa-diazole rings is 88.66 (14)°. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds extend the structure into a three-dimensional network.

摘要

在标题化合物CHClNO的结构中，末端苯环与相邻的呋喃环形成的二面角为6.77 (17)°。4-氯-5-(二甲基氨基)-哒嗪-3(2)-酮基团通过亚甲基桥与恶二唑环相连，哒嗪环与恶二唑环之间的二面角为88.66 (14)°。在晶体中，C—H⋯O和C—H⋯N氢键将结构扩展为三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/9462019/e8ebef815fe3/x-07-x220342-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/9462019/7b28eff6721a/x-07-x220342-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/9462019/e8ebef815fe3/x-07-x220342-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/9462019/7b28eff6721a/x-07-x220342-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/9462019/e8ebef815fe3/x-07-x220342-fig2.jpg

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