Crystal structure of bis(3,5-dichloro-N-n-propylsalicylaldiminato- N,O)zinc(II), Zn(C10H10Cl2NO)2

Abstract

Source of material 3,5-Dichlorosalicylaldehyde (382 mg, 2m mol) and n-propylamine (118 mg, 2mmol) were dissolved in an aqueous ethanol solution (25 mL). The mixture was stirred at room temperature for 2htogive aclear yellow solution, which was added to amethanol solution (10 mL) of Zn(NO 3 ) 2 · 6H 2 O( 595 mg, 2m mol). The mixture was stirred for another 10 min at room temperature to give ayellow solution and then filtered. The yellow single crystals suitable for X-ray analysis were obtained by slowly evaporating the above filtrate at room temperature. The crystals were isolated and dried in avacuum desiccator containing anhydrous CaCl 2 (yield 68 %). Elemental analysis -found: C, 45.41 %; H, 3.90 %; N, 5.11 %; calculated for C 20H20ZnCl4N2O2:C,45.53 %; H, 3.82 %; N, 5.31 %. IR data are available in the CIF. Experimental detailsAll the Hatoms were placed in geometrically idealized positions and constrained to ride on their parent atoms, with d(C-H) = 0.93 -0.97 Å,and with U iso (H) =1.2 or 1.5 U eq (C). DiscussionTransition metal complexes of Schiff bases have been extensively investigated for many years due to their novel structures and potential applications in many fields [1][2][3][4]. These compounds play an important role in the development of coordination chemistry related to catalysis and enzymatic reactions, magnetism and molecular architecture. Zinc(II) chelate complexes were studied as models for the active site of carbonic anhydrase and other hydrolytically active enzymes [5,6]. The role of zinc(II) structural properties in protein folding is also extensively studied [7][8][9][10]. The title complex is am ononuclear zinc(II) complex with a Schiff-base ligand. Zn(II) atom is four-coordinated by two N atoms and two Oa toms from two Schiff-base ligands in ad istorted tetrahedral arrangement. The dihedral angle between the coordination planes (N1/Zn1/O1 and N1A/Zn1A/O1A) is 84.23(5)°,a nd the dihedral angles between the plane sixmembered ring (C1/C2/C3/C4/C5/C6) and the plane N1/Zn1/O1 is 17.91(8)°(symmetry codes A: -x,y,½-z). The bond angles ∠O1-Zn1-O1 and ∠N1-Zn1-N1 are 122.4(1)°and 119.0(1)°, respectively. The other angles subtended at the Zn(II) ion are in the range of 95.12(7)°-113.57(7)°.The average bond lengths of Zn-Oand Zn-Nare 1.923(2) and 2.002(2) Å,respectively.