Inglebert S Antony, Kamalraja Jayabal, Sethusankar K, Perumal Paramasivam T
Sri Ram Engineering College, Chennai 602 024, India.
Organic Chemistry Division, CSIR Central Leather Research Institute, Chennai 600 020, India.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 24;70(Pt 6):o710-1. doi: 10.1107/S1600536814010794. eCollection 2014 Jun 1.
In the title compound, C19H22N2O4, the six-membered cyclo-hexenone ring of the chromene unit adopts an envelope conformation, with the dimethyl-substituted C atom as the flap, while the pyran ring has a boat conformation. These two mean planes are inclined to one another by 6.65 (13)°·The benzene ring is normal to the 4H-chromene moiety mean plane, making a dihedral angle of 89.18 (5)°. The methyl-amine and nitro groups are slightly twisted from the chromene moiety mean plane, with torsion angles C-N-C-O = 1.70 (18) and O-N-C-C = 0.15 (18)°. The mol-ecular structure is characterized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of weak C-H⋯O hydrogen bonds, forming inversion dimers. These dimers are connected by further C-H⋯O hydrogen bonds, forming sheets lying parallel to (10-1).
在标题化合物C₁₉H₂₂N₂O₄中，色烯单元的六元环己烯酮环呈信封构象，以二甲基取代的C原子为瓣，而吡喃环呈船式构象。这两个平均平面相互倾斜6.65 (13)°。苯环与4H - 色烯部分的平均平面垂直，二面角为89.18 (5)°。甲胺基和硝基与色烯部分的平均平面略有扭曲，扭转角C - N - C - O = 1.70 (18)°和O - N - C - C = 0.15 (18)°。分子结构的特征是存在分子内N - H⋯O氢键，形成S(6)环模式。在晶体中，分子通过成对的弱C - H⋯O氢键相连，形成反演二聚体。这些二聚体通过进一步的C - H⋯O氢键连接，形成平行于(10 - 1)的片层。
