Crystal and Molecular Structures of the Salts of Diethylenetriamine with Two Organic Acids

Two crystalline organic salts of diethylenetriamine (L): with 2,4,6-trinitrophenol (picric acid = Pic), anhydrous [(H 2 L) 2+ ·(Pic − ) 2 ] ( 1 ), and with 3,5-dinitrosalicylic acid (3,5-dns), the hydrate [(H 2 L) 2+ (3,5-dns) 2− ·H 2 O ( 2 ) have been prepared and characterized by X-ray diffraction analysis, IR, and elemental analysis. Both compounds 1 and 2 crystallize in the monoclinic space group P 2 1 / c , with Z = 4 in cells with a = 8.729(3) Å, b = 12.437(4) Å, c = 20.922(7) Å, β = 98.154(4)º, V = 2,248.5(13) Å 3 (for 1 ) and a = 10.8722(7) Å, b = 20.5909(19) Å, c = 6.9758(4) Å, β = 94.509(1)º, V = 1,556.8(2) Å 3 (for 2 ). The supramolecular architectures of both 1 and 2 involve extensive hydrogen bonding including O–H···N, N–H···O and N–H···N interactions as well as other non-covalent C–H···π and π···π interactions, giving three-dimensional framework structures. Graphical Abstract The crystal structures of the diethylenetriamine salts with picric acid and 3,5-dinitrosalicylic acid show extensive hydrogen bonding as well as C–H···π and π···π interections, giving three-dimensional networks.