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mandipropamid的晶体结构。

Crystal structure of mandipropamid.

作者信息

Park Hyunjin, Kim Jineun, Kang Gihaeng, Kim Tae Ho

机构信息

Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Sep 12;71(Pt 10):o727-8. doi: 10.1107/S2056989015016643. eCollection 2015 Oct 1.

DOI:10.1107/S2056989015016643
PMID:26594445
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4647438/
Abstract

In the title compound, C23H22ClNO4 (systematic name: (RS)-2-(4-chloro-phen-yl)-N-{2-[3-meth-oxy-4-(prop-2-yn-1-yl-oxy)phen-yl]eth-yl}-2-(prop-2-yn-yloxy)acetamide), an amide fungicide, the dihedral angle between the chloro-benzene and benzene rings is 65.36 (6)°. In the crystal, N-H⋯O hydrogen bonds lead to zigzag supra-molecular chains along the c axis (glide symmetry). These are connected into layers by C-H⋯O and C-H⋯π inter-actions; the layers stack along the a axis with no specific inter-molecular inter-actions between them.

摘要

在标题化合物C23H22ClNO4(系统名称:(RS)-2-(4-氯苯基)-N-{2-[3-甲氧基-4-(丙-2-炔-1-基氧基)苯基]乙基}-2-(丙-2-炔基氧基)乙酰胺)中,一种酰胺类杀菌剂,氯苯环和苯环之间的二面角为65.36 (6)°。在晶体中,N-H⋯O氢键导致沿c轴形成锯齿状超分子链(滑移对称)。这些通过C-H⋯O和C-H⋯π相互作用连接成层;这些层沿a轴堆叠,它们之间没有特定的分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a73f/4647438/c3e31c9d97c2/e-71-0o727-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a73f/4647438/87e987847c01/e-71-0o727-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a73f/4647438/c3e31c9d97c2/e-71-0o727-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a73f/4647438/87e987847c01/e-71-0o727-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a73f/4647438/c3e31c9d97c2/e-71-0o727-fig2.jpg

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本文引用的文献

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A short history of SHELX.
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