@article {49988,
	title = {Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra-aqua-bis-{2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acetato-κO}cobalt(II)},
	journal = {Acta Crystallographica Section E Crystallographic Communications},
	volume = {81},
	year = {2025},
	month = {JAN},
	pages = {63{\textendash}68},
	type = {Article},
	abstract = {<p>
	<span style="color: rgb(27, 27, 27); font-family: Cambria, \&quot;Cambria Math\&quot;, Charter, \&quot;Times New Roman\&quot;, Times, stixgeneral, serif; font-size: 18.6667px;">A relatively strong hydrogen bond between one of the water mol-ecules and the non-coordinating carboxyl-ate O atom consolidates the conformation. In the crystal, inter-molecular hydrogen bonds lead to the formation of a complex tri-periodic structure. Hirshfeld surface analysis revealed that 30.1\% of the inter-molecular inter-actions are from H...H contacts and 20.8\% are from N...H/H...N contacts. DFT calculations were performed to assess the stability and chemical reactivity of the compound by determining the energy differences between the HOMO and LUMO.</span></p>
},
	doi = {10.1107/S2056989024011939},
	author = {Kinshakova, Ekaterina and Torambetov, Batirbay and Kaur, Simranjeet and Ashurov, Jamshid and Kadirova, Shakhnoza}
}
