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3-溴-1-(3-氯吡啶-2-基)-N-(4-乙氧基苯基)-1H-吡唑-5-甲酰胺

3-Bromo-1-(3-chloro-pyridin-2-yl)-N-(4-eth-oxy-phen-yl)-1H-pyrazole-5-carbox-amide.

作者信息

Yue Hai, Dong Wei-Li, Wang Run-Ling, Cheng Xian-Chao

机构信息

School of Pharmacy, Tianjin Medical University, Tianjin 300070, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 30;66(Pt 11):o2961. doi: 10.1107/S1600536810040158.

DOI:10.1107/S1600536810040158
PMID:21589129
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009256/
Abstract

In the title compound, C(17)H(14)BrClN(4)O(2), the pyrazole ring is almost coplanar with the benzene ring [dihedral angle = 0.5 (2)°], whereas the pyrazole ring is close to perpendicular to the 3-chloro-pyridine ring [dihedral angle = 73.7 (2)°]. An intra-molecular C-H⋯O hydrogen bond occurs. The dominant inter-action in the crystal packing is an N-H⋯N hydrogen bond, which generates a chain along the c axis. Weak inter-molecular C-H⋯O and C-H⋯N contacts are also observed.

摘要

在标题化合物C(17)H(14)BrClN(4)O(2)中，吡唑环与苯环几乎共面[二面角 = 0.5 (2)°]，而吡唑环与3-氯吡啶环接近垂直[二面角 = 73.7 (2)°]。存在分子内C-H⋯O氢键。晶体堆积中的主要相互作用是N-H⋯N氢键，它沿c轴形成一条链。还观察到弱的分子间C-H⋯O和C-H⋯N接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3101/3009256/9e8ea3cdc890/e-66-o2961-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3101/3009256/52dde85ef5a0/e-66-o2961-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3101/3009256/43b5e4e826ba/e-66-o2961-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3101/3009256/9e8ea3cdc890/e-66-o2961-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3101/3009256/52dde85ef5a0/e-66-o2961-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3101/3009256/43b5e4e826ba/e-66-o2961-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3101/3009256/9e8ea3cdc890/e-66-o2961-fig3.jpg

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