Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent. Issue 16 (1st April 2019)

• Record Type: Journal Article
• Authors: Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.
• Is Part Of: CrystEngComm. Volume 21:Issue 16(2019)
• Page Start: 2691
• Page End: 2701
• Publication Date: 2019-04-01
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/c9ce00107g
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : The crystal structures of four new d 10 -metal halide coordination polymers are determined as one-dimensional (1D) zigzag chains which are in contact with each other by C/N–H⋯X (X = Cl, Br, I) hydrogen bonds. Abstract : In this study, four new d 10 -metal halide coordination polymers (CPs), namely [HgCl2 (3-pna)] n (1 ), [HgBr2 (3-pna)] n (2 ), [HgI2 (3-pna)] n CH3 OH (3 ) and [CdI2 (3-pna)] n (4 ), (3-pna = N -(3-pyridinyl)nicotinamide) were prepared through the reaction of mercury(ii ) or cadmium(ii ) salts with 3-pna by a solution-based method and structurally characterized via single-crystal X-ray diffraction. Moreover, X-ray crystal structure determination of 3-pna is reported for the first time. From the viewpoint of green chemistry, solid state reactivity of the starting materials of compounds1 and2 was investigated by mechanochemical and thermal synthesis methods under solvent-free conditions. Powder X-ray diffraction (PXRD) patterns of the reaction mixture upon grinding of the starting reactant and powders isolated from heating the reactant materials were successfully matched with simulated PXRD patterns of the compounds. According to single-crystal X-ray analysis, all compounds1–4 are isostructural CPs as one-dimensional (1D) zigzag chains based on the anti conformation of the ligand. The accompanying halogen ions are observed to form C/N–H⋯X (X = Cl, Br, I) hydrogen bonds resulting in 3D supramolecular architectures. The presence of solvent molecules in the mercury iodide complex expands the packing structure with the change of halogen-based interactions to N–H⋯Osolvent and C–H⋯Oamide interactions. Conformational dependence of ligand interactions was investigated on the reported 3-pna complexes in the Cambridge Structural Database (CSD). The results revealed that supramolecular synthons of the amide skeleton of the ligand as well as the polymeric architecture of the complex are significantly influenced by the anti / syn conformation of the ligand.