三氟甲基
氢键
化学
代谢物
立体化学
Crystal(编程语言)
单位(环理论)
晶体结构
群(周期表)
药物化学
结晶学
分子
有机化学
生物化学
程序设计语言
数学教育
烷基
计算机科学
数学
作者
Kaushik Banerjee,Axel Patrick Ligon,Markus Schürmann,Hans Preut,Michael Spiteller
标识
DOI:10.1107/s1600536805012900
摘要
The crystal structure of the title compound, C19H17F3N2O4, a metabolite of the fungicide trifloxystrobin (TFS), contains one molecule in the asymmetric unit. The CF3 group is disordered over two positions. The important characteristics of the molecule are the two C=N bonds in an E,E configuration, one in the β-methoxy system and the other in the oxymethyl side chain between the two aromatic rings. The molecules are linked via an O—H⋯N hydrogen bond and an infinite spiral is formed along the b-axis direction.
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