Rakhmonova Dilnoza, Kadirova Zukhra, Torambetov Batirbay, Kadirova Shakhnoza, Ashurov Jamshid, Shishkina Svitlana
National University of Uzbekistan named after Mirzo Ulugbek, 4 University St, Tashkent, 100174, Uzbekistan.
Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek Str, 83, Tashkent, 700125, Uzbekistan.
Acta Crystallogr E Crystallogr Commun. 2022 Jan 20;78(Pt 2):211-215. doi: 10.1107/S2056989022000585. eCollection 2022 Jan 1.
2-(3-Hy-droxy-prop-yl)-1-benzimidazole, CHNO, which has potential biological activity, can be used as a ligand for complexation with metals. This compound is an electron donor, due to the lone pair of the nitro-gen atom in the imidazole ring. This nitro-gen atom also acts as a proton acceptor. In the crystalline phase, the nitrate salt, namely, 2-(3-hy-droxy-prop-yl)-1-benzim-id-azol-3-ium nitrate, CHNO·NO , has been studied. The protonation of the 2-(3-hy-droxy-prop-yl)benzimidazole unit results in significant delocalization of the electron density within the imidazole ring. The salt formation leads to variations in the inter-molecular inter-actions, which were studied by analysis of the Hirshfeld surfaces and two-dimensional fingerprint plots.
2-(3-羟基丙基)-1-苯并咪唑（CHNO）具有潜在的生物活性，可作为与金属络合的配体。由于咪唑环中氮原子的孤对电子，该化合物是电子供体。这个氮原子也作为质子受体。在结晶相中，已经对硝酸盐，即2-(3-羟基丙基)-1-苯并咪唑-3-鎓硝酸盐（CHNO·NO）进行了研究。2-(3-羟基丙基)苯并咪唑单元的质子化导致咪唑环内电子密度的显著离域。盐的形成导致分子间相互作用的变化，通过对Hirshfeld表面和二维指纹图谱的分析对其进行了研究。
