Crystal Structure, Hirshfeld Surface, and Antibacterial Properties of [Ni(4-AP)₄(NCS)₂] (AP = Aminopyridine)

Abstract:

Single crystal of [Ni(4-AP)₄(NCS)₂] complex compound has been obtained using solvothermal method at 70 °C for 15 hours (yield = 41%). Crystal structure of [Ni(4-AP)₄(NCS)₂] has a distorted octahedral structure with orthorhombic crystal system, Pccn space group, Z = 4, and a, b, and c values of 17.1091(5) Å, 9.6686 (3) Å, 16.1998 (5) Å. Hirshfeld Surface analysis shows that intermolecular hydrogen bonds in the complex compound comes from N–H∙∙∙∙N and N–H∙∙∙∙S. The intermolecular interactions are dominated by H---H, C---H/H---C, and H---S/S---H by 39.0%, 29.6%, and 24.7%, respectively. The relatively less contributions are N---H/H---N, S---C/C---S, and S---N/N---S at 6.3%, 0.2%, and 0.1%, respectively. The [Ni(4-AP)₄(NCS)₂] complex has antibacterial activity against Escherichia coli and Staphylococcus aureus.

• Periodical: Key Engineering Materials (Volume 985)
• Pages: 123-134
• DOI: https://doi.org/10.4028/p-lLL8pm
• Online since: August 2024
• Authors: Moch Robitul Choir, Sutandyo Dwija Laksmana, Husni Wahyu Wijaya, I Wayan Dasna*
• Keywords: 4-Aminopyridine, Antibacterial, Hirsfeld Surface, Nickel, Single Crystal, Solvothermal

References

[1] H. L. Zhu, S. C. Shao, J. L. Ma, X. Y. Qiu, L. Sun, and S. Yang, "Dibenzoato-di(2- aminopyridine)nickel(II)," Acta Crystallogr. Sect. E Struct. Reports Online, vol. 59, no. 10, pp. m843–m844, 2003.

DOI: 10.1107/S1600536803019329

[2] L. Li and F. Yuan, "Synthesis and Structural Characterization Of The Heteroleptic Nickel 2- Aminopyridine Complex Of (acac)(CH3COO)Ni(2-NH2Py)2," Synth. React. Inorganic, Met. Nano-Metal Chem., vol. 42, no. 2, p.205–208, 2012.

DOI: 10.1080/15533174.2011.609518

[3] M. Salehi, M. Galini, M. Kubicki, and A. Khaleghian, "Synthesis and Characterization of New Cobalt(III) and Nickel(II) Complexes Derived from Acetylacetone and 2-Aminopyridine: a New Precursor for Preparation of NiO Nanoparticles," Russ. J. Inorg. Chem., vol. 64, no. 1, p.18– 27, 2019.

DOI: 10.1134/S0036023619010170

[4] B. Dojer, A. Golobič, Z. Jagličić, M. Kristl, and M. Drofenik, "Two new nickel(II) carboxylates with 3- and 4-aminopyridine: Syntheses, structures, and magnetic properties," Monatshefte fur Chemie, vol. 143, no. 1, p.73–78, 2012.

DOI: 10.1007/s00706-011-0578-3

[5] D. M. Lovett et al., "Structural analysis of imino- and amino-pyridine ligands for Ni(II):Precatalysts for the polymerization of ethylene," J. Organomet. Chem., vol. 863, no. Ii, p.44–53, 2018.

DOI: 10.1016/j.jorganchem.2018.03.012

[6] Y. C. Lin et al., "Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization," Dalt. Trans., vol. 41, no. 22, p.6661–6670, 2012.

DOI: 10.1039/c2dt30151b

[7] F. A. Mautner, P. V. Jantscher, R. C. Fischer, A. Torvisco, K. Reichmann, and S. S. Massoud, "Syntheses, structural characterization, and thermal behaviour of metal complexes with 3- aminopyridine as co-ligands," Transit. Met. Chem., vol. 46, no. 3, p.191–200, 2021.

DOI: 10.1007/s11243-020-00436-2

[8] M. Hossain et al., "Physical and Spectral Characterization of Ni ( II ) Cu ( II ) Co ( II ) and Cd ( II ) Complexes with Schiff Base of Salicylaldehyde and 2-Aminopyridine Towards Potential Microbial Application," vol. 6, no. 4, p.147–155, 2018.

DOI: 10.11648/j.ajac.20180604.13

[9] L. R. Nassimbeni and M. L. Kilkenny, "Tetrakis(4-aminopyridine)diisothiocyanatonickel(II) and its clathrates with EtOH, Me2CO and DMSO: Structures, thermal stabilities and guest exchange," J. Chem. Soc. Dalt. Trans., no. 8, p.1172–1175, 2001.

DOI: 10.1039/b010042k

[10] T. Neumann et al., "Structures, Thermodynamic Relations, and Magnetism of Stable and Metastable Ni(NCS)2 Coordination Polymers," Inorg. Chem., vol. 57, no. 6, p.3305–3314, 2018.

DOI: 10.1021/acs.inorgchem.8b00092

[11] O. C. Sanchez Montilva, F. Movilla, M. G. Rodriguez, and F. Di Salvo, "Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine- κN1)dichloridocobalt(II)," Acta Crystallographica Section C: Structural Chemistry, vol. 73, no. 5. p.399–406, 2017.

DOI: 10.1107/S2053229617004880

[12] Z. Setifi et al., "The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey," J. Mol. Struct., vol. 1173, no. Ii, p.697–706, 2018.

DOI: 10.1016/j.molstruc.2018.07.049

[13] D. M. Yufanyi, H. J. Nono, A. C. B. Yuoh, C. D. Tabong, and ..., "Crystal Packing Studies, Thermal Properties, and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand," Open J. Inorg. Chem., vol. 11, p.63–84, 2021.

DOI: 10.4236/ojic.2021.113005

[14] A. L. O. Mbani et al., "Synthesis, crystal structure, DFT studies and Hirshfeld surface analysis of Manganese(II) and Cadmium(II) coordination polymers of 2-aminopyridine and dicyanamide," J. Mol. Struct., vol. 1261, p.132956, 2022.

DOI: 10.1016/j.molstruc.2022.132956

[15] F. Islam et al., "Synthesis , Characterization , and Antimicrobial Activity Studies of Ni ( II ) Complex with Pyridine as a Ligand," vol. 2015, 2015.

[16] A. Munadhiroh, H. W. Wijaya, N. Farida, S. Golhen, and I. W. Dasna, "Synthesis, Characterization, and Preliminary Study of [Co(2- aminopyridine)2(NCS)2] or bis(2- aminopyridine)dithiocyanato cobalt(II) as An Antibacterial," J. Kim. Val., vol. 8, no. 1, p.23– 29, 2022.

DOI: 10.15408/jkv.v8i1.22685

[17] M. Ashfaq et al., "Synthesis , Crystal Structure , Hirshfeld Surface Analysis , and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component," 2021.

DOI: 10.1021/acsomega.1c03078

[18] S. A. Mousavi, M. Montazerozohori, A. Masoudiasl, G. Mahmoudi, and J. M. White, "Sonication-assisted synthesis of a new cationic zinc nitrate complex with a tetradentate Schiff base ligand: Crystal structure, Hirshfeld surface analysis and investigation of different parameters influence on morphological properties," Ultrason. Sonochem., vol. 46, p.26–35, 2018.

DOI: 10.1016/j.ultsonch.2018.02.050

[19] A. Colette et al., "Synthesis , Crystal Structure , and Antimicrobial Properties of a Novel 1-D Cobalt Coordination Polymer with Dicyanamide and 2-Aminopyridine," Int. J. Inorg. Chem., vol. 2015, p.9–12, 2015.