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2-（3,4-二甲基-5,5-二氧代-2H,4H-吡唑并-[4,3-c][1,2]苯并噻嗪-2-基）-1-（4-甲氧基苯基）乙酮

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)-1-(4-meth-oxy-phen-yl)ethanone.

作者信息

Aslam Sana, Siddiqui Hamid Latif, Ahmad Matloob, Hussain Tanvir, Parvez Masood

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o458-9. doi: 10.1107/S1600536812001286. Epub 2012 Jan 18.

DOI:10.1107/S1600536812001286
PMID:22347069
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275213/
Abstract

In the title mol-ecule, C(20)H(19)N(3)O(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.492 (6) and 0.199 (6) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The ethanone group lies at an angle of 9.4 (2)° with respect to the benzene ring, which lies almost perpendicular to the pyrazole ring, with a dihedral between the two planes of 78.07 (9)°. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds.

摘要

在标题分子C₂₀H₁₉N₃O₄S中，杂环噻嗪环呈半椅构象，硫原子和氮原子分别从其余环原子形成的平均平面的相反侧位移0.492（6）Å和0.199（6）Å。乙酮基与苯环呈9.4（2）°的夹角，苯环几乎垂直于吡唑环，两个平面之间的二面角为78.07（9）°。在晶体中，分子通过弱C—H⋯O氢键相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d62/3275213/f0a7c5c68e6c/e-68-0o458-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d62/3275213/f46a25631b8b/e-68-0o458-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d62/3275213/f0a7c5c68e6c/e-68-0o458-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d62/3275213/f46a25631b8b/e-68-0o458-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d62/3275213/f0a7c5c68e6c/e-68-0o458-fig2.jpg

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