Crystal structure of 3,6-di-2-pyridinyl-4-pyridazine carbonitrile, C₁₅H₉N₅

Abstract

C15H 9 N5, monoclinic, P21/c (no. 14), a = 8.9817(4) Å, b = 11.5791(19) Å, c = 12.065(2) Å, CCDC no.: 1453551The crystal structure is shown in the gure. Tables 1-3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters. Source of materialThe ligand was prepared using the method of Butte and Case [4,5]. 3,6-di(2-pyridyl)tetrazine (1.0 g, 6.8 mmoles) and (1.1 g, 20.73 mmoles) of acrylonitrile were dissolved in 25 mL of toluene. The resulting mixture was re uxed overnight until the red color of the tetrazine disappeared. The solid residue which remained after removal of the solvent was recrystallized from ethanol to give the title compound as yellow needles. Crystals suitable for X-ray di raction studies were grown by the solvent di usion method, where solutions of the compound in dry dichloromethane were layered with a four fold