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.
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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 | ||
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