Synthesis, Single-crystal Structure and Fluorescence Property of a New Boron Compound Based on 2-(2'-Hydroxyphenyl)-1H-benzimidazole

A new boron compound [C27H21BN4O3] based on 2-(2?-hydroxyphenyl)-1 Hbenzimidazole has been synthesized and characterized by single-crystal X-ray diffraction, and its crystal crystallizes in the monoclinic system, space group P21/n with a = 9.6544(5), b = 14.1558(8), c = 16.4314(9) ?, β = 97.730°, Mr = 460.29, V = 2225.2(2) ?~3, Z = 4, Dc = 1.374 g/cm~3, μ = 0.74 mm-1, S = 1.051, F(000) = 960, the final R = 0.0643 and w R = 0.1569 for 2233 observed reflections(I > 2σ(I)). The title compound is a B(III) center mononuclear molecule in the asymmetric unit. The typical structural characteristic of the title compound is the methanol group adopting a μ2-bridging mode to link two different adjacent chelating modes though two types of hydrogen bonds to form a one-dimensional supramolecular structure. Additionally, aromatic π-π stacking interactions between adjacent benzimidazolyl groups lead to a three-dimensional network. Furthermore, the stability and fluorescence property revealed the potential applications in the organic photoelectric material.