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-(4-甲氧基-2-甲基-5-硝基苯基)乙酰胺

-(4-Meth-oxy-2-methyl-5-nitro-phen-yl)acetamide.

作者信息

Uppu Rao M, Fronczek Frank R

机构信息

Department of Environmental Toxicology Southern University and A&M College Baton Rouge LA 70813 USA.

Department of Chemistry Louisiana State University,Baton Rouge LA 70803 USA.

出版信息

IUCrdata. 2025 Jun 3;10(Pt 6):x250470. doi: 10.1107/S2414314625004705. eCollection 2025 Jun.

Abstract

In the title compound, CHNO, the four substituents lie out of the phenyl plane by varying degrees. The methyl C atom lies 0.019 (3) Å out of plane, while the meth-oxy O and C atoms lie 0.067 (2) and 0.042 (3) Å out of plane, respectively, with the C-C-O-C torsion angle being 3.3 (2)°. The plane of the nitro group is twisted out of the phenyl plane, forming a dihedral angle of 12.03 (9)° with it. The acetamide substituent is twisted considerably more out of the phenyl plane, forming a dihedral angle of 47.24 (6)° with it. In the extended structure, the acetamide NH group donates a hydrogen bond to an acetamide carbonyl O atom, thereby forming chains propagating in the [010] direction.

摘要

在标题化合物CHNO中,四个取代基与苯平面呈不同程度的偏离。甲基C原子偏离平面0.019(3)Å,而甲氧基O和C原子分别偏离平面0.067(2)和0.042(3)Å,C-C-O-C扭转角为3.3(2)°。硝基平面与苯平面扭曲,与其形成12.03(9)°的二面角。乙酰胺取代基与苯平面的扭曲程度更大,与其形成47.24(6)°的二面角。在扩展结构中,乙酰胺NH基团与乙酰胺羰基O原子形成氢键,从而形成沿[010]方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7628/12230592/4c2e86c0af2e/x-10-x250470-fig1.jpg

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