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(2-氧代-2H-苯并[h]色烯-4-基)甲基吗啉-4-碳二硫代酸酯

(2-Oxo-2H-benzo[h]chromen-4-yl)methyl morpholine-4-carbodithio-ate.

作者信息

Kant Rajni, Gupta Vivek K, Kapoor Kamini, Kour Gurvinder, Kumar K Mahesh, Mahabaleshwaraiah N M, Kotresh O

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1104-5. doi: 10.1107/S160053681201094X. Epub 2012 Mar 17.

DOI:10.1107/S160053681201094X
PMID:22589963
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344054/
Abstract

In the title compound, C(19)H(17)NO(3)S(2), the morpholine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.9 (1)°. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into corrugated layers parallel to (102). The crystal packing also exhibits π-π inter-actions, with distances of 3.644 (1) and 3.677 (1) Å between the centroids of the benzene rings of neighbouring mol-ecules.

摘要

在标题化合物C(19)H(17)NO(3)S(2)中,吗啉环呈椅式构象。在香豆素环系中,苯环和吡喃环之间的二面角为3.9 (1)°。在晶体中,弱的C-H⋯O相互作用将分子连接成平行于(102)的波纹层。晶体堆积还表现出π-π相互作用,相邻分子苯环中心之间的距离为3.644 (1) 和3.677 (1) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/114a/3344054/b18f51a9e536/e-68-o1104-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/114a/3344054/b18f51a9e536/e-68-o1104-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/114a/3344054/b18f51a9e536/e-68-o1104-fig1.jpg

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A short history of SHELX.SHELX简史。
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