Structural investigation and hirshfeld surface analysis of Cu(II) triethanolamine 4-nitrobenzoate
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GOROBEŢ, Anastasia, CRIŞAN, Manuela E., BOUROSH, Pavlina, CROITOR, Lilia. Structural investigation and hirshfeld surface analysis of Cu(II) triethanolamine 4-nitrobenzoate. In: Revue Roumaine de Chimie, 2021, vol. 66, pp. 35-359. ISSN 0035-3930. DOI: https://doi.org/10.33224/rrch.2021.66.4.06
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Revue Roumaine de Chimie
Volumul 66 / 2021 / ISSN 0035-3930

Structural investigation and hirshfeld surface analysis of Cu(II) triethanolamine 4-nitrobenzoate

DOI:https://doi.org/10.33224/rrch.2021.66.4.06

Pag. 35-359

Gorobeţ Anastasia1, Crişan Manuela E.2, Bourosh Pavlina1, Croitor Lilia1
 
1 Institute of Applied Physics,
2 ”Coriolan Dragulescu” Institute of Chemistry
 
Proiecte:
 
Disponibil în IBN: 1 martie 2022


Rezumat

The crystal structure of new Cu(II) coordination compound synthesized using the triethanolammonium 4-nitrobenzoate (HTEA)(4NB), namely bis(4-nitrobenzoato)-bis(μ-2-[bis(2-hydroxyethyl)amino]ethan-1-olato)-di-copper(II) dihydrate [Cu2(TEA)2(4NB)2]·2H2O, is reported. The compound consists of centrosymmetric dinuclear units, in which two Cu(II) ions are bridged by two μ:η1 oxo bridges of two TEA anions, adopting a NO5 distorsional tetragonal bipyramidal geometry. Dinuclear complexes are hydrogen-bonded with outer-sphere water molecules by intermolecular O–H···O hydrogen bond interactions in a 1D supramolecular chain and further interlinked by C–H···π stacking interactions. The relationship between noncovalent interactions derived from Hirshfeld surface analysis, two-dimensional fingerprint plots and crystal lattice energy of the compound is also presented and discussed.