Details

Autor(en) / Beteiligte

• Petrenko, Yuliia P.
• Vynohradov, Oleksandr S.
• Khomenko, Dmytro M.
• Doroshchuk, Roman O.
• Raspertova, Ilona V.
• Shova, Sergiu
• Lampeka, Rostyslav D.

Titel

Crystal structure and Hirshfeld-surface analysis of diaquabis(5-methyl-1 H -1,2,4-triazole-3-carboxylato)copper(II)

Ist Teil von

• Acta crystallographica. Section E, Crystallographic communications, 2024-01, Vol.80 (1), p.54-57

Ort / Verlag

International Union of Crystallography

Erscheinungsjahr

2024

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The title compound, [Cu(H L ) 2 (H 2 O) 2 ] or [Cu(C 4 H 4 N 3 O 2 ) 2 (H 2 O) 2 ], is a mononuclear octahedral Cu II complex based on 5-methyl-1 H -1,2,4-triazole-3-carboxylic acid (H 2 L ). [Cu(H L ) 2 (H 2 O) 2 ] was synthesized by reaction of H 2 L with copper(II) nitrate hexahydrate (2:1 stoichiometric ratio) in water under ambient conditions to produce clear light-blue crystals. The central Cu atom exhibits an N 2 O 4 coordination environment in an elongated octahedral geometry provided by two bidentate H L − anions in the equatorial plane and two water molecules in the axial positions. Hirshfeld surface analysis revealed that the most important contributions to the surface contacts are from H...O/O...H (33.1%), H...H (29.5%) and H...N/N...H (19.3%) interactions.