SYNTHESIS, X-RAY CRYSTAL STRUCTURE, SPECTROSCOPIC CHARACTERIZATION AND HIRSHFELD SURFACE ANALYSIS OF DICHLORO-BIS(3,5-DIMETHYL-4-AMINO-1H-PYRAZOLE) COBALT(II)

• Datum: 2022
• Hauptverfasser: Davydenko , Yuliya, Pavlenko, Vadim, Fritsky, Igor, Vynohradov , Oleksandr
• Format: Artikel
• Sprache: English
• Veröffentlicht: V.I.Vernadsky Institute of General and Inorganic Chemistry 2022
• Online Zugang: https://ucj.org.ua/index.php/journal/article/view/460
• Назва журналу: Ukrainian Chemistry Journal

The synthesis and characterization of mononuclear Co(II) complex based on 3,5-dimethyl-4-amino-1H-pyrazole are reported. IR and UV/Vis spectroscopy characterization of the complex are described. The synthesis, results of IR, NMR spectroscopy and elemental analysis of 3,5-dimethyl-4-amino-1H-pyrazole are also reported. X-ray analysis of [Co(C5H9N3)2Cl2] complex reveals that the cobalt atom has a tetrahedral coordination environment formed by two nitrogen atoms belonging to the two 3,5-dimethyl-4-amino-1H-pyrazole ligands [Co1–N1 = 2.005(3) and Co1–N5 = 2.006(3)Å] and two chlorine atoms [Co1–Cl2 = 2.2400(11) and Co1–Cl1 2.2863(12) Å]. In the crystal structure the molecules are linked through intermolecular (N–H···N, N–H···Cl) and intramolecular non-classical (С–H···Cl) hydrogen bonds. Hirshfeld surface analysis of the intermolecular contacts reveals that the most important contributions for the crystal packing are from H···H (47.1%) and H···Cl/Cl···H (28.5%) contacts.