The crystal structure of copper(II) open cubane-like complex with 2,3-dihydroxybenzaldehyde semicarbazone
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KRAVTSOV, Viktor; BOUROSH, Paulina; DRAGANCEA, Diana; CUBA, Lidia. The crystal structure of copper(II) open cubane-like complex with 2,3-dihydroxybenzaldehyde semicarbazone. In: Achievements and perspectives of modern chemistry. 9-11 octombrie 2019, Chişinău. Chisinau, Republic of Moldova: Tipografia Academiei de Ştiinţe a Moldovei, 2019, p. 89. ISBN 978-9975-62-428-2.
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Achievements and perspectives of modern chemistry 2019
Conferința "International Conference "Achievements and perspectives of modern chemistry""
Chişinău, Moldova, 9-11 octombrie 2019

The crystal structure of copper(II) open cubane-like complex with 2,3-dihydroxybenzaldehyde semicarbazone


Pag. 89-89

Kravtsov Viktor1, Bourosh Paulina1, Dragancea Diana2, Cuba Lidia2
 
1 Institute of Applied Physics,
2 Institute of Chemistry
 
Disponibil în IBN: 5 noiembrie 2019


Rezumat

Oxygen bridged tetrameric clusters with a cuban-like {M4O4} core (M = MnII, FeII, CoII, NiII, CuII, ZnII) are well known and being used to identify the correlation between structural parameters and magnetic properties [1, 2]. Herein we report the synthesis and crystal structure of the novel tetranuclear copper(II) coordination compound [Cu4(H2L)4](NO3)4·4H2O, where H3L is 2,3-dihydroxybenzaldehyde semicarbazone. The complex crystallizes in P42/n space group, a = b = 13.7080(6) Å, c = 12.5284(6) Å, V = 2354.2(2) Å3, Z = 2. The asymmetric units consists of a [Cu(H2L)]+ moiety, one NO3- anion and one solvent water molecule. The cationic complex reside around special position of four-fold inversion axis, thus having S4 molecular symmetry. The monodeprotonated organic ligands coordinate to two metals in chelate-bridging tetradentate O, O, N, O mode forming three fused metallocycles, resulted in open cubane-like structure (Figure).Figure. Molecular structure of cationic complex (left) and {Cu4O4} core (right) The Cu(II) atom is five-coordinated by four O atoms and one N atom from two ligand to form a distorted trigonal bipyrimidal NO4 configuration. The equatorial plane is defined by atoms O(2)*, O(3)*, N(3) and axial position is occupied by O(1) and O(2) (Cu(1)–O(2)* 2.070(3) Å, Cu(1)–O(3)* 2.159(3) Å, Cu(1)–N(3) 1.929(4) Å, Cu(1)–O(1) 1.976(4) Å and Cu(1)–O(2) 1.924(3) Å). In the open {Cu4O4} core angle O(2)–Cu(1)–O(2) = 94.8(1)º and Cu(1)–O(2)–Cu(1) = 116.1(1)º, the non-bonding distance Cu(1)···O(2) is 3.335 Å. Ions NO3- in the external sphere are bonded to the –NH2, >N–H, – OH groups of cationic complex and molecules of water through hydrogen bonds (N(1)–H···Onitrate 3.038 and 2.979 Å, N(2)– H···Onitrate 2.976 Å, O(3)–H(1)···Onitrate 2.617 and 2.918 Å, O–H(w)···Onitrate 3.026, 3.204 and 3.289 Å).