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 73.42â (10)° with the benzimidazole ring system mean plane (r.m.s. deviation = 0.015â à ) in (I) and 83.07â (7)° in (II) (r.m.s. deviation = 0.026â à ). The methyl carboxyl-ate groups are planar to within 0.031â (2) in (I) and 0.003â (2)â à in (II). They are inclined to the phenyl and benzimidazole ring system by 33.78â (16) and 87.56â (14)°, respectively, in (I) and by 53.04â (12) and 60.22â (11)°, respectively, in (II). In the crystal of (I), mol-ecules stack in a herringbone fashion and are linked by C-Hâ¯O hydrogen bonds, forming chains along [100]. In the crystal of (II), there are no significant inter-molecular inter-actions present.
Crystal structures of methyl 3-phenyl-4,5-di-hydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxyl-ate and methyl 1-methyl-3-phenyl-4,5-di-hydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxyl-ate.
阅读:6
作者:Govindaraj J, Raja R, Suresh M, Raghunathan R, SubbiahPandi A
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2014 | 起止号: | 2014 Oct 8; 70(Pt 11):316-8 |
| doi: | 10.1107/S1600536814021655 | ||
特别声明
1、本文转载旨在传播信息,不代表本网站观点,亦不对其内容的真实性承担责任。
2、其他媒体、网站或个人若从本网站转载使用,必须保留本网站注明的“来源”,并自行承担包括版权在内的相关法律责任。
3、如作者不希望本文被转载,或需洽谈转载稿费等事宜,请及时与本网站联系。
4、此外,如需投稿,也可通过邮箱info@biocloudy.com与我们取得联系。
