9-苄基-3-氰基-9H-吡咯并[1,2-a]苯并咪唑-1,2-二甲酸二甲酯
Dimethyl 9-benzyl-3-cyano-9H-pyrrolo[1,2-a]benzimidazole-1,2-dicarboxyl-ate.
作者信息
Gu Wei-Jin, Jiang Yu-Liang, Wang Bing-Xiang
机构信息
Department of Applied Chemistry, Nanjing Normal University, Nanjing 210097, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3155. doi: 10.1107/S1600536809048867.
The title compound, C(22)H(17)N(3)O(4), was prepared through 1,3-dipolar cyclo-addition: the dihedral angle between the benzimidazole and benzene rings is 80.93 (6)°. The crystal structure is stabilized by weak π-π inter-actions between the planar pyrrolobenzimidazole rings (r.m.s. deviation = 0.0293 Å) of neighbouring mol-ecules, forming chains along the c axis. The perpendicular distance is 3.47 (2) Å and the centroid-centroid distances are in the range of 3.590 (3)-3.944 (3) Å.
标题化合物C(22)H(17)N(3)O(4)通过1,3 - 偶极环加成反应制备：苯并咪唑环与苯环之间的二面角为80.93 (6)°。晶体结构通过相邻分子的平面吡咯并苯并咪唑环（均方根偏差 = 0.0293 Å）之间的弱π - π相互作用得以稳定，沿c轴形成链状结构。垂直距离为3.47 (2) Å，质心 - 质心距离在3.590 (3) - 3.944 (3) Å范围内。
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