Synthesis, characterization and crystal structure of a co-crystal compound including 4,4'-bipyridine, 3-nithrophthalic acid

The co-crystal compound of 4,4'-bipyridine 3-nithrophthalic acid (1) was obtained by the reaction of 4,4'-bipyridine, 3-nithrophthalic acid and calcium chloride (1:1:1 molar ratio) in solvents mixture H2O/MeOH under solution condition. The crystal structure of this compound was determined by elemental analysis, IR spectroscopy and single crystal X-ray diffraction method. Crystallographic data for 1 was collected at 298 K. The synthesized compound has been crystallized in monoclinic system with P21/n space group and a = 13.729 (3), b = 6.804(1), c = 18.562(4), β= 109.56(3) cell parameters. The final R value is 0.06 for 2867 independent reflections. There are various types of non-covalent interactions including strong and weak hydrogen bonds N–H∙∙∙O and C–H∙∙∙O which connected the various components in )1( to form 3D supramolecular structure.