A new silver complex salt [Ag(N 2 C 11 H 10) 2 ]NO 3 (where N 2 C 11 H 10 = 4,5-dihydro-1H-benzo[g]indazole), has been synthesized and characterized by elemental and thermal analyses, IR and 1 HNMR spectroscopies, single crystal X-ray structure determination and DFT studies. Its molecular structure comprises of a silver center coordinated to two nitrogen atoms from two 4,5-dihydro-1H-benzo[g]indazole molecule giving rise to a cationic complex entity, [Ag(N 2 C 11 H 10) 2 ] + with 3 NO − as counter ion. The bulk structure is consolidated by N-H•••O, C-H•••π, Ag•••π and Ag•••O intermolecular interactions, thus generating a pseudo-helical network. The optimized structure, frontier molecular orbitals (HOMO and LUMO) and global reactivity descriptors were investigated by performing DFT calculations.

The reaction of 2-ethylimidazole and zinc formate monohydrate in 1:2 ratio in toluene leads to the formation of bis(2-ethylimidazole)bis(formato)zinc(II)-water (1/1), [Zn(N 2 H 8 C 5) 2 (OCHO) 2 ]•H 2 O, 1 which has been characterized by several techniques, including elemental and thermal analyses, IR, 1 HNMR and 13 CNMR spectroscopies, single crystal X-ray diffraction and DFT studies. The results obtained show that this complex crystallizes in the orthorhombic crystal system of the Pbca space group, with cell parameters a = 14.7230(2) Å, b = 7.3880(10) Å, c = 29.0843(4) Å, α = 90˚, β = 90˚, γ = 90˚, V = 3163.73 Å 3 and Z = 8. The zinc center is bound to two molecules of 2-ethylimidazole, two formate molecules in a tetrahedral coordination geometry. One water of crystallization is present in the coordination sphere of the compound. Its molecular crystalline structure is strengthened by O/N-H…O, O-H…π, O-H…H, C-H…O, H…π, π…O and π…π interactions. The optimized structure, frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential, natural bond orbitals and the Mulliken atomic charges were investigated through theoretical studies.