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The supramolecular frameworks of two metal complexes with 1,3-diamino-2-hydroxypropanetetraacetic acid (H 4 Hpdta) have been explored in the context of crystal engineering, and the noncovalent interactions are further characterized by Bader's quantum theory of "atoms-in-molecules" (QTAIM), Noncovalent Interaction (NCI) plot index and Scatter plot. [Display omitted] A new 1,3-diamino-2-hydroxypropanetetraacetate copper complex (1) [{Cu(Hpdta)}{Cu(H 2 O) 6 }] has been synthesized and structurally characterized by single crystal X-ray diffraction and compared with a similar cobalt complex (2) of H 4 Hpdta (H 4 Hpdta = 1,3-diamino-2-hydroxypropanetetraacetic acid) retrieved from CSD (CSD ref code: TELBAN) with a detailed analysis of intermolecular interactions. X-ray crystallography reveals that both complexes are stabilized through C−H⋯O and O−H⋯O interactions generating different supramolecular networks. Detailed analysis of Hirshfeld surfaces and 2D fingerprint plot has been carried out for the title complexes to quantify the intermolecular interactions. Further, the noncovalent interactions are characterized through the Bader's theory of 'Atoms in Molecules' (AIM) and noncovalent interaction (NCI) plot index. At the bond critical point (BCP), the electron density (ρ BCP) and the Laplacian of electron density ( ∇ 2 (ρ BCP)) differ significantly for strong and weak noncovalent interactions. The dissociation energies are evaluated for validating the intermolecular interactions required to stabilize the complexes. The analysis of topological parameters extracted from AIM calculation characterized the interactions as closed-shell interactions. [ABSTRACT FROM AUTHOR]