Synthesis, crystal structure and Hirshfeld surface analysis of hexa-aqua-nickel(II) bis-(4-hy-droxy-benzoate) dihydrate

Abror Ruzmetov; Aziz Ibragimov; Jamshid Ashurov; Zebo Boltaeva; Bakhtiyar Ibragimov; Sultan Usmanov

doi:10.1107/S205698902200531X

Synthesis, crystal structure and Hirshfeld surface analysis of hexa-aqua-nickel(II) bis-(4-hy-droxy-benzoate) dihydrate

Acta Crystallogr E Crystallogr Commun. 2022 May 24;78(Pt 6):660-664. doi: 10.1107/S205698902200531X. eCollection 2022 Jun 1.

Authors

Abror Ruzmetov¹, Aziz Ibragimov¹, Jamshid Ashurov², Zebo Boltaeva², Bakhtiyar Ibragimov², Sultan Usmanov³

Affiliations

¹ Institute of General and Inorganic Chemistry, Academy of Sciences of Uzbekistan, 100170, M. Ulugbek Str 77a, Tashkent, Uzbekistan.
² Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, 100125, Kh. Abdullaev Str 83, Tashkent, Uzbekistan.
³ Institute of Chemical Sciences of Kazakhstan NAS, Walikhanov str. 106, Almaty, 050010, Kazakhstan.

Abstract

The title compound, [Ni(H₂O)₆](PHB)₂·2H₂O (1) (PHB = 4-hy-droxy-benzoate, C₇H₅O₃), was obtained by the reaction of NiCl₂, 4-hy-droxy-benzoic acid (PHBA) and mono-ethano-lamine in aqueous ethanol solution. The Ni^II ion is coordinated by six water mol-ecules and is located on an inversion center. The outer coordination sphere in the asymmetric unit comprises one PHB anion and one water mol-ecule, i.e. the compound is a salt and a hydrate consisting of three components. In the crystal, the components are packed into an inter-molecular network stabilized by O-H⋯O hydrogen bonds. A comprehensive Hirshfeld surface analysis was carried out to investigate the inter-molecular inter-actions in detail.

Keywords: 4-hydroxybenzoic acid; Ni complex; X-ray crystallography; hydrogen bonding; molecular structure.

Grants and funding

This work was supported by Uzbekistan Ministry of Innovation Development (project number F3–20200929348) and program BR10965255 within the framework of program-targeted funding of the Republic of Kazakhstan.