Fun Hoong-Kun, Promdet Premrudee, Horkaew Jirapa, Chantrapromma Suchada
Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o562-3. doi: 10.1107/S1600536812003534. Epub 2012 Feb 4.
In the asymmetric unit of the title compound, C(18)H(20)N(2)O(5), there are two crystallographic independent mol-ecules. Both mol-ecules are twisted; the dihedral angle between the two benzene rings is 7.2 (5)° in one mol-ecule, whereas it is 85.9 (4)° in the other. Of the three meth-oxy groups in the 3,4,5-trimeth-oxy-phenyl unit, two meth-oxy groups at meta positions are approximately coplanar with the benzene plane [C-O-C-C torsion angles of -2.3 (13)-4.8 (11)°], but the other meth-oxy, at the para position, is out of the plane [C-O-C-C of 72.8 (9)° in one mol-ecule and -77.5 (9)° in the other]. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions into tapes along the b axis. C-H⋯π inter-actions are also present.
在标题化合物C₁₈H₂₀N₂O₅的不对称单元中,有两个晶体学独立分子。两个分子均呈扭曲状;在一个分子中,两个苯环之间的二面角为7.2(5)°,而在另一个分子中为85.9(4)°。在3,4,5-三甲氧基苯基单元的三个甲氧基中,间位的两个甲氧基与苯平面大致共面[C-O-C-C扭转角为-2.3(13)-4.8(11)°],但对位的另一个甲氧基不在平面内[在一个分子中C-O-C-C为72.8(9)°,在另一个分子中为-77.5(9)°]。在晶体中,分子通过N-H⋯O氢键和弱C-H⋯O相互作用沿b轴连接成链状。还存在C-H⋯π相互作用。