The mol-ecular and crystal structures of 2-(3-hy-droxy-prop-yl)benzimidazole and its nitrate salt.

ABSTRACT: 2-(3-Hy-droxy-prop-yl)-1H-benzimidazole, C₁₀H₁₂N₂O, 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)-1H-benzim-id-azol-3-ium nitrate, C₁₀H₁₃N₂O⁺·NO₃ ^-, 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 s

SUBMITTER: Rakhmonova D 

PROVIDER: S-EPMC8819435 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature