<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Kinshakova, Ekaterina</style></author><author><style face="normal" font="default" size="100%">Torambetov, Batirbay</style></author><author><style face="normal" font="default" size="100%">Kaur, Simranjeet</style></author><author><style face="normal" font="default" size="100%">Ashurov, Jamshid</style></author><author><style face="normal" font="default" size="100%">Kadirova, Shakhnoza</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra­aqua­bis­2-[(5-methyl-1,3,4-thia­diazol-2-yl)sulfan­yl]acetato-κOcobalt(II)</style></title><secondary-title><style face="normal" font="default" size="100%">Acta Crystallographica Section E Crystallographic Communications</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JAN</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">81</style></volume><pages><style face="normal" font="default" size="100%">63–68</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	&lt;span style=&quot;color: rgb(27, 27, 27); font-family: Cambria, &amp;quot;Cambria Math&amp;quot;, Charter, &amp;quot;Times New Roman&amp;quot;, Times, stixgeneral, serif; font-size: 18.6667px;&quot;&gt;A relatively strong hydrogen bond between one of the water mol­ecules and the non-coordinating carboxyl­ate O atom consolidates the conformation. In the crystal, inter­molecular hydrogen bonds lead to the formation of a complex tri-periodic structure. Hirshfeld surface analysis revealed that 30.1% of the inter­molecular inter­actions 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.&lt;/span&gt;&lt;/p&gt;
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	Foreign&lt;/p&gt;
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	0.6&lt;/p&gt;
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