Uppu Rao M, Fronczek Frank R
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.
IUCrdata. 2025 Jun 3;10(Pt 6):x250470. doi: 10.1107/S2414314625004705. eCollection 2025 Jun.
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.
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。
