Kia Reza, Fun Hoong-Kun, Kargar Hadi
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o660-1. doi: 10.1107/S1600536809006989.
In the title compound, C(22)H(14)N(4), a new substituted benzimidazole, three inter-molecular C-H⋯N inter-actions link neighbouring mol-ecules into different dimers with R(2) (2)(12), R(2) (2)(8) and R(2) (2)(24) ring motifs. A fourth C-H⋯N inter-action links neighbouring mol-ecules along the c axis. There is also a short inter-molecular contact between the azomethine (C=N) segment of the benzimidazole ring and one of the C atoms of a neighbouring benzene ring [N⋯C = 3.191 (5), C⋯C = 3.364 (6) Å], which links the mol-ecules along the a axis. The two cyano-benzene rings are almost perpendicular to each other, with an inter-planar angle of 87.70 (7)°. The dihedral angles between the mean planes of the benzimidazole ring and the two outer benzene rings are 36.27 (16) and 86.70 (16)°. In the crystal structure, mol-ecules are stacked down the a axis with centroid-centroid distances of 3.906 (2)-3.912 (2) Å and inter-planar distances of 3.5040 (17) and 3.6235 (17) Å.
在标题化合物C₂₂H₁₄N₄（一种新型取代苯并咪唑）中，三个分子间C—H⋯N相互作用将相邻分子连接成具有R₂²(12)、R₂²(8)和R₂²(24)环模式的不同二聚体。第四个C—H⋯N相互作用沿c轴连接相邻分子。苯并咪唑环的偶氮甲碱（C=N）片段与相邻苯环的一个C原子之间还存在短程分子间接触[N⋯C = 3.191 (5)，C⋯C = 3.364 (6) Å]，这沿a轴连接分子。两个氰基苯环几乎相互垂直，面间角为87.70 (7)°。苯并咪唑环平均平面与两个外部苯环平均平面之间的二面角分别为36.27 (16)°和86.70 (16)°。在晶体结构中，分子沿a轴堆积，质心间距为3.906 (2) - 3.912 (2) Å，面间距为3.5040 (17) Å和3.6235 (17) Å。
