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4-(3-甲基-5-苯基-1H-吡唑-1-基)苯磺酰胺

4-(3-Methyl-5-phenyl-1H-pyrazol-1-yl)benzene-sulfonamide.

作者信息

Asiri Abdullah M, Faidallah Hassan M, Al-Youbi Abdulrahman O, Basaif Salem A, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2426. doi: 10.1107/S1600536811032855. Epub 2011 Aug 27.

DOI:10.1107/S1600536811032855
PMID:22059007
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200729/
Abstract

With respect to the planar five-membered ring of the title compound, C(16)H(15)N(3)O(2)S, the phenyl ring is aligned at 47.0 (1)° and the phenyl-ene ring at 37.6 (1)°. The amino group has the N atom in a pyramidal geometry; the group is a hydrogen-bond donor to the sulfonyl O atom of one mol-ecule and to the pyrazole N atom of another mol-ecule, resulting in the formation of a layer parallel to the bc plane.

摘要

对于标题化合物C(16)H(15)N(3)O(2)S的平面五元环,苯环的排列角度为47.0 (1)°,亚苯基环的排列角度为37.6 (1)°。氨基中N原子呈金字塔形几何构型;该基团是一个氢键供体,与一个分子的磺酰基O原子以及另一个分子的吡唑N原子形成氢键,从而形成了一个平行于bc平面的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e7fc/3200729/d911ca9bdc39/e-67-o2426-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e7fc/3200729/d911ca9bdc39/e-67-o2426-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e7fc/3200729/d911ca9bdc39/e-67-o2426-fig1.jpg

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本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Synthesis of 4-(5-iodo-3-methylpyrazolyl) phenylsulfonamide and its elaboration to a COX II inhibitor library by solution-phase suzuki coupling using Pd/C as a solid-supported catalyst.4-(5-碘-3-甲基吡唑基)苯磺酰胺的合成及其通过使用钯/碳作为固相载体催化剂的溶液相铃木偶联反应制备COX II抑制剂库。
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