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2 - {(E)-[(2Z)-(3 - 氯 - 1 - 甲基 - 2,2 - 二氧代 - 3,4 - 二氢 - 1H - 2,1 - 苯并噻嗪 - 4 - 亚基)肼叉亚基]甲基}苯酚

2-{(E)-[(2Z)-(3-Chloro-1-methyl-2,2-di-oxo-3,4-dihydro-1H-2,1-benzo-thia-zin-4-yl-idene)hydrazinyl-idene]meth-yl}phenol.

作者信息

Shafiq Muhammad, Khan Islam Ullah, Zia-Ur-Rehman Muhammad, Arshad Muhammad Nadeem, Asiri Abdullah M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o307. doi: 10.1107/S1600536811055978. Epub 2012 Jan 7.

DOI:10.1107/S1600536811055978
PMID:22346945
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275000/
Abstract

In the title compound, C(16)H(14)ClN(3)O(3)S, the thia-zine ring adopts a sofa (half-chair) conformation, with an r.m.s. deviation from the mean plane of 0.23 Å. The S atom and S-bonded C atom exhibit the maximum deviations from the thia-zine mean plane [-0.3976 (12) and 0.3179 (14) Å, respectively]. The conformations around the double bonds in the R(2)C=N-N=CHR unit are Z and E. An intra-molecular O-H⋯N hydrogen bond with the hy-droxy group as donor generates an S(6) ring motif. In the crystal, pairs of weak C-H⋯O inter-actions connect the mol-ecules, forming inversion dimers.

摘要

在标题化合物C₁₆H₁₄ClN₃O₃S中，噻嗪环呈沙发（半椅）构象，与平均平面的均方根偏差为0.23 Å。S原子和与S键合的C原子与噻嗪平均平面的偏差最大[分别为 -0.3976(12) 和0.3179(14) Å]。R₂C=N-N=CHR单元中双键周围的构象为Z型和E型。以羟基为供体的分子内O-H⋯N氢键形成一个S(6)环模式。在晶体中，成对的弱C-H⋯O相互作用连接分子，形成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9577/3275000/4d3e61f189fe/e-68-0o307-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9577/3275000/e4aa9df52552/e-68-0o307-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9577/3275000/4d3e61f189fe/e-68-0o307-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9577/3275000/e4aa9df52552/e-68-0o307-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9577/3275000/4d3e61f189fe/e-68-0o307-fig2.jpg

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