Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a ZnII complex with 3,5-dinitrobenzoic acid and ethylenediamine

Abstract

During systematic investigations of the biological action enhancement of well known compounds, a new metal complex, namely, bis(3,5-dinitrobenzoato)(ethane-1,2-diamine)zinc(II), [Zn(C7H3N2O6)2(C2H8N2)], was synthesized and the structure of its orthorhombic form has determined. The synthesis and crystal structure of the monoclinic polymorph has previously been reported [Ibragimov et al. (2020). Rep. Uzb. Acad. Sci. 1, 45–50]. The zinc ion has a distorted tetrahedral environment formed by two monodentate 3,5-dinitrobenzoato anions and chelating ethylenediamine molecule. In the crystal, the complex molecules are linked by N—H...O and C—H...O hydrogen bonds into a two-dimensional network parallel to the ac plane. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...O/O...H (43.4%) and O...C/C...O (17.7%) interactions.

Keywords

• crystal structure
• 3,5-dinitrobenzoic acid
• ethylenediamine
• hirshfeld surface analysis
• hydrogen bonding