A pyrazole-containing copper coordination framework : an investigation into its Hirshfeld surface analysis, magnetic behavior and biological activity

The properties of pyrazole-based systems have been widely investigated due to their chelating ability with metallic ions as terminal ligands, bridging ligands and precursors for the design of several multi-nitrogen ligands for coordination, bioinorganic and organometallic chemistry [1], in order to build up new coordination polymeric networks and metal-organic frameworks. Additionally, they are well known for their spin-crossover behavior and their biological and medicinal properties as analgesic, anti-inflammatory agents [2], etc. As a contribution to what has been previously reported, we will be describing herein, for the first time, the magnetic properties and antimicrobial activity of a pyrazole-based copper complex [3]. Furthermore, the Hirshfeld surfaces and the 2D-figerprint graphics [4] allowing the understanding of the properties and the occurrence of each intermolecular contact around the studied complex molecules will be discussed exclusively in detail. References : [1] a) Montoya, V., Pons, J., Garcia-Anton, J., Solans, X., Font-Bardia, M. & Ros, J. (2007). Inorg. Chim. Acta. 360, 625–637. b) Itoh, T., Fuji, Y., Toda, T. (1996). Bull. Chem. Soc. Jpn. 69, 1265. c) Sun, Y. J., Cheng, P., Yan, S. P., Liao, D. Z., Jiang, Z. H., Shen, P. W. (2002). J. Coord. Chem. 55, 363. d) Lam, M. H. W., Tang, Y. -Y., Fung, K. -M., You, X.-Z., Wong, W.-T. (1997). Chem. Commun. 957. [2] a) Kahn, O., Martinez, C. J. (1998). Science. 279, 44-48. b) Olguin, J., Brooker, S. (2011). Coord. Chem. Rev. 255, 203-240. c) Gursoy, A., Demiryak, S., Capan, G., Erol, K. & Vural, K. (2000). Eur. J. Med. Chem. 35, 359–364. d) Lynch, D. E. & McClenaghan, I. (2005). Acta Cryst. E61, o2349–o2351. [3] Direm, A., Tursun, M., Parlak, C. & Benali-Cherif. N. (2015). J. Mol. Struct. 1093, 208–218. [4] a) Spackman, M. A. & Jayatilaka, D. (2009). Cryst. Eng. Comm., 11, 19–32. b) Spackman, M. A. & McKinnon, J. J. (2002). Cryst. Eng. Comm. 4, 378–392.