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

Proceedings of 5th International Electronic Conference on Medicinal Chemistry Pub Date : 2019-11-17 DOI:10.3390/ecmc2019-06690

Amani Direm, O. Abosede, M. Abdelbaky, C. Parlak, S. García‐Granda, N. Benali-cherif

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Abstract

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.

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一种含吡唑的铜配位框架:其赫希菲尔德表面分析、磁性行为和生物活性的研究

基于吡唑的体系由于其与金属离子作为末端配体、桥接配体和前体的螯合能力而被广泛研究，用于设计几种多氮配体用于配位、生物无机和有机金属化学[1]，以建立新的配位聚合物网络和金属有机框架。此外，它们还因其自旋交叉行为以及作为镇痛、抗炎剂的生物学和药用特性而闻名[2]。作为对先前报道的贡献，我们将在这里首次描述吡唑基铜配合物的磁性和抗菌活性[3]。此外，Hirshfeld表面和2d指纹图形[4]允许理解所研究的复杂分子周围的性质和每个分子间接触的发生将被详细讨论。[1] a) Montoya, V.， Pons, J.， Garcia-Anton, J.， Solans, X.， Font-Bardia, M. and Ros, J.(2007)。Inorg。詹。学报，360,625-637。b) Itoh, T.， Fuji, Y.， Toda, T.(1996)。公牛。化学。Soc。日刊69,1265。c)阳光、y . J。程,P,燕,s P。辽、d . Z。江Z H,沈,P . w .(2002)。[j] .化学学报。55,363。d)林明慧，唐玉英-杨玉英。冯，k -M。你，x - z。Wong, w . t .;（１９９７）．化学。Commun》957。[2]李建平，李建平，李建平(1998)。科学，279,44-48。b) Olguin, J.， Brooker, S.(2011)。Coord化学。Rev. 255,203 -240。c) Gursoy, A.， Demiryak, S.， Capan, G.， Erol, K. & Vural, K.(2000)。欧元。医学化学杂志，35,359-364。d) Lynch, d.e. & McClenaghan, I.(2005)。Acta结晶。E61 o2349-o2351。[3]李建军，李建军，李建军，等。n(2015)。[j] .化学工程学报，2003,18(3):558 - 558。[4]李建平，李建平。(2009)。结晶的。Eng。通讯，11,19-32。b) Spackman, m.a.和McKinnon, j.j.(2002)。结晶的。Eng。通讯4,378-392。

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Proceedings of 5th International Electronic Conference on Medicinal Chemistry

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