Fu Wei-Wei, Liang Yan-Fei, Liu Yang, Zhu Xiao-Ming
Key Laboratory of Functional Organometallic Materials of General Colleges and Universities in Hunan Province, Department of Chemistry and Materials Science, Hengyang Normal University, Hengyang 421008, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 24;70(Pt 6):o699. doi: 10.1107/S1600536814011179. eCollection 2014 Jun 1.
The title compound, C20H14N4, is a new polymorph of the previously reported structures, which were ortho-rhom-bic, space group Pbca [Bei et al. (2000). Acta Cryst. C56, 718-719] and monoclinic, space group P21/c [Dudd et al. (2003). Green Chem. 5, 187-192]. The asymmetric unit consists of two independent mol-ecules in which the dihedral angels between the central benzene ring and the outer benzimidazole ring systems are 16.81 (10) and 14.23 (10)° in one molecule and 26.09 (10) and 37.29 (10)° in the other. In the crystal, mol-ecules are linked by N-H⋯N and C-H⋯N hydrogen bonds into a tape running along the c-axis direction.
标题化合物C20H14N4是先前报道结构的一种新多晶型物，先前报道的结构为正交晶系，空间群Pbca [Bei等人（2000年）。《晶体学报》C56，718 - 719] 和单斜晶系，空间群P21/c [Dudd等人（2003年）。《绿色化学》5，187 - 192]。不对称单元由两个独立分子组成，其中一个分子中中心苯环与外部苯并咪唑环系统之间的二面角为16.81（10）°和14.23（10）°，另一个分子中为26.09（10）°和37.29（10）°。在晶体中，分子通过N - H⋯N和C - H⋯N氢键连接成沿c轴方向延伸的带状结构。
