Synthesis, characterization, crystal structure, Hirshfeld surface analysis of Cd(II)-1, 2-benzisothiazol-3(2H)-one complexes

Reaction of [Cd(OAc)2].2H2O with Nabit (Hbit=1, 2-benzisothiazol-3(2H)-one) afford [Cd(bit)2]. Treatment of [Cd(bit)2] with the diamines ligands (L'); ethylenediamine (en), 1,10-phenanthroline (phen) or 2,2 & PRIME;-bipyridine (bipy) afford complexes of the type [Cd(bit)2(L')]. X-ray crystal structure analysis of [Cd(bit)2(bipy)] showed that it is a mixture of the two binuclear complexes; [Cd(bipy)(& kappa;1-bit)(& mu;-bit)]2 (2a) and [Cd2(bipy)2(& kappa;1bit)4(H2O)2(& mu;-H2O)] (2b). Each cadmium atom is peta coordinated in complex 2a whereas hexa coordinated in complex 2b. The coordination geometry is distorted square pyramidal and distorted octahedral in complex 2a and 2b, respectively. The crystal packing of complex 2a is stabilized by C-HMIDLINE HORIZONTAL ELLIPSISO and & pi;MIDLINE HORIZONTAL ELLIPSIS & pi; stacking interactions whereas the crystal packing of complex 2b is stabilized by O-HMIDLINE HORIZONTAL ELLIPSISO, C-HMIDLINE HORIZONTAL ELLIPSISO and & pi;MIDLINE HORIZONTAL ELLIPSIS & pi; stacking interactions. The intermolecular interactions in both complexes are further inspected by Hirshfeld surface analysis. The void analysis is carried out to check the presence or absence of the large cavity in complex 2a and 2b.