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6-甲基-2-氧代-4-[4-(三氟甲氧基)苯胺基]环己-3-烯-1-羧酸叔丁酯

tert-Butyl 6-methyl-2-oxo-4-[4-(trifluoro-meth-oxy)anilino]cyclo-hex-3-ene-1-carboxyl-ate.

作者信息

Alexander Mariano S, North Henry, Scott Kenneth R, Butcher Ray J

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3229. doi: 10.1107/S1600536810046969.

DOI:10.1107/S1600536810046969
PMID:21589519
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011753/
Abstract

In the title compound, C(19)H(22)F(3)NO(4), the dihedral angle between the benzene ring and the conjugated part of the enaminone ring is 42.5 (1)°. The ester substituent makes a dihedral angle of 81.3 (2)° with this latter moiety. The crystal structure is held together by strong N-H⋯O and weak C-H⋯O inter-molecular inter-actions. The enaminone ring is disordered over two orientations with relative occupancies of 0.794 (4) and 0.206 (4).

摘要

在标题化合物C(19)H(22)F(3)NO(4)中，苯环与烯胺酮环共轭部分之间的二面角为42.5 (1)°。酯取代基与后一个部分的二面角为81.3 (2)°。晶体结构通过强N-H⋯O和弱C-H⋯O分子间相互作用维系在一起。烯胺酮环在两个取向间无序分布，相对占有率分别为0.794 (4)和0.206 (4)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0bdf/3011753/7470033ef66d/e-66-o3229-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0bdf/3011753/3cafa4c42a53/e-66-o3229-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0bdf/3011753/7470033ef66d/e-66-o3229-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0bdf/3011753/3cafa4c42a53/e-66-o3229-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0bdf/3011753/7470033ef66d/e-66-o3229-fig2.jpg

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