Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1H-1,2,4-triazole-3-carboxyl-ato)copper(II).
Acta Crystallogr E Crystallogr Commun
; 80(Pt 1): 54-57, 2024 Jan 01.
Article
em En
| MEDLINE
| ID: mdl-38312166
ABSTRACT
The title compound, [Cu(HL)2(H2O)2] or [Cu(C4H4N3O2)2(H2O)2], is a mononuclear octa-hedral CuII complex based on 5-methyl-1H-1,2,4-triazole-3-carb-oxy-lic acid (H2 L). [Cu(HL)2(H2O)2] was synthesized by reaction of H2 L with copper(II) nitrate hexa-hydrate (21 stoichiometric ratio) in water under ambient conditions to produce clear light-blue crystals. The central Cu atom exhibits an N2O4 coordination environment in an elongated octa-hedral geometry provided by two bidentate HL - anions in the equatorial plane and two water mol-ecules in the axial positions. Hirshfeld surface analysis revealed that the most important contributions to the surface contacts are from Hâ¯O/Oâ¯H (33.1%), Hâ¯H (29.5%) and Hâ¯N/Nâ¯H (19.3%) inter-actions.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article