Govindaraj J, Raja R, Suresh M, Raghunathan R, SubbiahPandi A
Department of Physics, Pachaiyappa's College for Men, Kanchipuram 631 501, India.
Department of Physics, Presidency College (Autonomous), Chennai 600 005, India.
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 8;70(Pt 11):316-8. doi: 10.1107/S1600536814021655. eCollection 2014 Nov 1.
The title compounds, C19H18N2O3, (I), and C20H20N2O3, (II), differ only by a methyl substituent on the seven-membered oxazepine ring in (II). In both compounds, these rings have a twist-chair conformation. The phenyl ring makes a dihedral angle of 73.42 (10)° with the benzimidazole ring system mean plane (r.m.s. deviation = 0.015 Å) in (I) and 83.07 (7)° in (II) (r.m.s. deviation = 0.026 Å). The methyl carboxyl-ate groups are planar to within 0.031 (2) in (I) and 0.003 (2) Å in (II). They are inclined to the phenyl and benzimidazole ring system by 33.78 (16) and 87.56 (14)°, respectively, in (I) and by 53.04 (12) and 60.22 (11)°, respectively, in (II). In the crystal of (I), mol-ecules stack in a herringbone fashion and are linked by C-H⋯O hydrogen bonds, forming chains along [100]. In the crystal of (II), there are no significant inter-molecular inter-actions present.
标题化合物C₁₉H₁₈N₂O₃（I）和C₂₀H₂₀N₂O₃（II）仅在（II）的七元恶唑环上有一个甲基取代基的差异。在这两种化合物中，这些环均呈扭船式构象。在（I）中，苯环与苯并咪唑环系平均平面的二面角为73.42 (10)°（均方根偏差 = 0.015 Å），在（II）中为83.07 (7)°（均方根偏差 = 0.026 Å）。甲酯基在（I）中平面度在0.031 (2) Å以内，在（II）中为0.003 (2) Å。在（I）中，它们相对于苯环和苯并咪唑环系的倾斜角分别为33.78 (16)°和87.56 (14)°，在（II）中分别为53.04 (12)°和60.22 (11)°。在（I）的晶体中，分子以人字形堆积，并通过C—H⋯O氢键相连，沿[100]方向形成链状结构。在（II）的晶体中，不存在显著的分子间相互作用。
