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6-溴-4-(2-环己叉肼-1-亚基)-1-甲基-2,2-二氧代-3,4-二氢-1H-2λ(6),1-苯并噻嗪

6-Bromo-4-(2-cyclo-hexyl-idenehydrazin-1-yl-idene)-1-methyl-2,2-dioxo-3,4-dihydro-1H-2λ(6),1-benzothia-zine.

作者信息

Shafiq Muhammad, Khan Islam Ullah, Zia-Ur-Rehman Muhammad, Arshad Muhammad Nadeem, Safder Muhammad, Haider Zeeshan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2088-9. doi: 10.1107/S1600536812025123. Epub 2012 Jun 13.

DOI:10.1107/S1600536812025123
PMID:22798769
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393904/
Abstract

The asymmetric unit of the title compound, C(15)H(18)BrN(3)O(2)S, contains two independent mol-ecules in both of which the (thia-zine)C=N-N double bond exhibits an E conformation. The cyclo-hexyl rings adopt chair conformations while the thia-zine rings are in sofa conformations. The mean planes of these rings are oriented at dihedral angles of 64.43 (13) and 28.6 (2)° in the two independent mol-ecules while the aromatic and thia-zine rings are twisted by dihedral angles of 8.73 (8) and 13.07 (2)°, respectively. In the crystal, C-H⋯O and C-H⋯Br inter-actions connect mol-ecules into chains propagating along the a axis.

摘要

标题化合物C(15)H(18)BrN(3)O(2)S的不对称单元包含两个独立分子，其中两个分子中的（噻嗪）C=N-N双键均呈现E构型。环己基环呈椅式构象，而噻嗪环为沙发式构象。在两个独立分子中，这些环的平均平面的二面角分别为64.43 (13)°和28.6 (2)°，而芳环和噻嗪环的扭转二面角分别为8.73 (8)°和13.07 (2)°。在晶体中，C-H⋯O和C-H⋯Br相互作用将分子连接成沿a轴延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a463/3393904/0bf0c56526e3/e-68-o2088-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a463/3393904/9e6f8e3f3906/e-68-o2088-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a463/3393904/1c5c7cc14e34/e-68-o2088-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a463/3393904/0bf0c56526e3/e-68-o2088-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a463/3393904/9e6f8e3f3906/e-68-o2088-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a463/3393904/1c5c7cc14e34/e-68-o2088-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a463/3393904/0bf0c56526e3/e-68-o2088-fig3.jpg

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