A new coordination polymer constructed from Pb(NO3)2 and a benzylideneisonicotinohydrazide derivative: Coordination-induced generation of a ?-hole towards a tetrel-bonding stabilized structure

We report on a new Pb(II) coordination polymer [Pb(HL)(NO3)2]n (1), obtained from direct reaction of Pb(NO3)2 with N'-4-(dimethylamino)benzylideneisonicotinohydrazide (HL). The sphere around the cation is built by 1,4-N,O-chelating neutral HL, six oxygen atoms three chelating nitrate anions, and pyridyl nitrogen donor symmetry related molecule. ligand HL one acting as bridging species, yield two 1D zig-zag polymeric chains along crystallographic axes b c, respectively. As result, overall structural architecture 1 2D layer, which reinforced N–H···O hydrogen bonds ?···? interactions, resulting in 4-connected uninodal sql/Shubnikov tetragonal plane net topology or 3,5-connected binodal 3,5L1 net, once are considered. In addition these conventional hydrazide group to ion provokes formation ?-hole at carbonyl that establishes tetrel bond atom nearby nitrato-ligand belonging another chain. This interaction has been studied energetically PBE0-D3/def2-TZVP level theory also characterized using combination MEP, QTAIM NCIplot computational tools.