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（E）-1-甲基-5-（3-甲基-4-氯苯氧基）-3-三氟甲基-1H-吡唑-4-甲醛 O-乙酰肟

(E)-1-Methyl-5-(3-methyl-4-chloro-phen-oxy)-3-trifluoro-meth-yl-1H-pyrazole-4-carbaldehyde O-acetyl-oxime.

作者信息

Dai Hong, Shen Yan-Fei, Chen Jiao, Chen Hong-Lian, Shen Yong-Jun

机构信息

College of Chemistry and Chemical Engineering, Nantong University, Nantong 226019, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 26;67(Pt 3):o726. doi: 10.1107/S1600536811006696.

DOI:10.1107/S1600536811006696
PMID:21522468
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052068/
Abstract

In the title mol-ecule, C(15)H(13)ClF(3)N(3)O(3), the pyrazole and benzene rings form a dihedral angle of 77.6 (3)°. In the crystal, mol-ecules related by translation along the a axis are linked into chains via C-H⋯O hydrogen bonds. The crystal packing is stabilized further by weak π-π [centroid-centroid distance = 3.734 (6) Å] and dipole-dipole inter-actions [C⋯O = 3.174 (2) Å].

摘要

在标题分子C(15)H(13)ClF(3)N(3)O(3)中，吡唑环和苯环形成的二面角为77.6 (3)°。在晶体中，沿a轴平移相关的分子通过C—H⋯O氢键连接成链。晶体堆积通过弱的π-π[质心-质心距离 = 3.734 (6) Å]和偶极-偶极相互作用[C⋯O = 3.174 (2) Å]进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b686/3052068/9d2683f5fe89/e-67-0o726-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b686/3052068/b2a158026383/e-67-0o726-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b686/3052068/9d2683f5fe89/e-67-0o726-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b686/3052068/b2a158026383/e-67-0o726-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b686/3052068/9d2683f5fe89/e-67-0o726-fig2.jpg

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