In this study, a new equimolar (1:1:1) mixed ligand Cu(II) polymer, [Cu(IDA)(ImP)] n (1) with iminodiacetato (IDA) and imidazo[1,2-a]-pyridine (ImP) was synthesized and characterized by single crystal X-ray diffraction analysis. X-ray crystallography reveals that compound (1) consists of polymeric zigzag chain along [010] the carboxylate carbonyl oxygen atom by two-fold symmetry screw axis. The solid-state structure is stabilized through C-H···O hydrogen bonds and C-H···π interactions that lead the molecules to generate two-dimensional supramolecular assemblies. The intricate combinations of hydrogen bonds and C-H···π interactions are fully described along with computational studies. A thorough analysis of Hirshfeld surface and fingerprint plots elegantly quantify the interactions involved within the structure. The binding energies associated with the noncovalent interactions observed in the crystal structure and the interplay between them were calculated using theoretical DFT calculations. Weak noncovalent interactions were analyzed and characterized using Bader's theory of "atoms-in-molecules" (AIM). Finally, the solid-state supramolecular assembly was characterized by the "Noncovalent Interaction" (NCI) plot index.Crystals 2018, 8, 455 2 of 15 attraction, hydrogen bonding, interactions involving π-ring [21][22][23][24]. In this respect, C-H···π [25][26][27], π-stacking [28-31], anion···π [32][33][34][35] and lone pair···π [36,37] interactions have been successfully used in building supramolecular networks [38]. A proper understanding of these forces is extremely significant, since the problem of prediction is often limited to the recognition patterns or supramolecular synthons of different functional groups. The control of the topology of crystal packing through covalent and noncovalent interactions is the main goal of crystal engineering. Therefore, proper understanding of noncovalent forces is crucial to design and predict new supramolecular entities based on mono-dimensional coordination polymers.Keeping this in mind, a new Cu(II) polymer [Cu(IDA)(ImP)] n (1) (H 2 IDA = Iminodiacetic acid and ImP = Imidazo[1-a]-pyridine]), has been synthesized (see Scheme 1) and characterized by single crystal X-ray diffraction. The title 1D polymer is stabilized through hydrogen bonds and C-H···π interaction in building 2D layered structures. The structural descriptions have been corroborated with theoretical calculations. The weak noncovalent interactions observed in the title polymer have been analyzed both energetically and using Bader's theory of "atoms in molecules" by means of Density Functional theory (DFT) calculations. Crystals 2018, 8, x FOR PEER REVIEW 2 of 15 hydrogen bonding, interactions involving π-ring [21-24]. In this respect, C-H•••π [25-27], π-stacking [28-31], anion•••π [32-35] and lone pair•••π [36,37] interactions have been successfully used in building supramolecular networks [38]. A proper understanding of these forces is extremely significant, since the problem of prediction is often limited to the...