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N-[7-乙氧基-2-(2-丙烯-1-基)-2H-吲唑-6-基]-4-甲基苯磺酰胺

N-[7-Eth-oxy-2-(prop-2-en-1-yl)-2H-indazol-6-yl]-4-methyl-benzene-sulfonamide.

作者信息

Abbassi Najat, Rakib El Mostapha, Hannioui Abdellah, Zouihri Hafid

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3211. doi: 10.1107/S1600536811045855. Epub 2011 Nov 5.

DOI:10.1107/S1600536811045855
PMID:22199729
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238876/
Abstract

In the title compound, C(19)H(21)N(3)O(3)S, the C-SO(2)-NH-C torsion angle is 66.20 (9)°. The dihedral angle between the benzene ring and the essentially planar indazole ring system [r.m.s. deviation = 0.0361 (1) Å] is 72.97 (6)°. The S atom has a distorted tetra-hedral geometry [maximum deviation = O-S-O = 119.30 (6)°]. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds. In addition, weak C-H⋯O inter-actions may stabilize the crystal packing.

摘要

在标题化合物C(19)H(21)N(3)O(3)S中，C-SO(2)-NH-C扭转角为66.20 (9)°。苯环与基本平面的吲唑环系统[r.m.s.偏差 = 0.0361 (1) Å]之间的二面角为72.97 (6)°。S原子具有扭曲的四面体几何构型[最大偏差 = O-S-O = 119.30 (6)°]。晶体结构的特征是通过N-H⋯O氢键对连接的具有反演关系的二聚体。此外，弱的C-H⋯O相互作用可能会稳定晶体堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ed3/3238876/530674a4089c/e-67-o3211-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ed3/3238876/b9b4e2731747/e-67-o3211-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ed3/3238876/1b97ba0ec675/e-67-o3211-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ed3/3238876/530674a4089c/e-67-o3211-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ed3/3238876/b9b4e2731747/e-67-o3211-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ed3/3238876/1b97ba0ec675/e-67-o3211-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ed3/3238876/530674a4089c/e-67-o3211-fig3.jpg

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本文引用的文献

1
N-[7-Eth-oxy-1-(prop-2-en-1-yl)-1H-indazol-4-yl]-4-methyl-benzene-sulfonamide.N-[7-乙氧基-1-(2-丙烯-1-基)-1H-吲唑-4-基]-4-甲基苯磺酰胺
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2
N-(7-Eth-oxy-1H-indazol-4-yl)-4-methyl-benzene-sulfonamide.N-（7-乙氧基-1H-吲唑-4-基）-4-甲基苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1354. doi: 10.1107/S1600536811016576. Epub 2011 May 7.
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Structure validation in chemical crystallography.
化学晶体学中的结构验证
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A short history of SHELX.SHELX简史。
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