Synthesis and Characterization of 2-Aminobenzothiazol and 1-Methylisatin Co-Crystal

A co-crystal of 2-aminobenzothiazol and 1-methylisatin (III) was synthesized and characterized by elemental analysis, Fourier-transform infrared spectroscopy, nuclear magnetic resonance, high resolution mass spectrometry and single crystal X-ray analysis. Compound III co-crystallizes in the triclinic space group P (1) over bar, Z = 2. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0717 for 1911 observed reflections. The crystal structure is stabilized by elaborate system of N-H center dot center dot center dot O, N-H center dot center dot center dot N, C-H center dot center dot center dot O hydrogen bonds and pi center dot center dot center dot pi interactions with the formation of supramolecular structures. Furthermore, 3D Hirshfeld surfaces and allied 2D fingerprint plots were analyzed for molecular interactions.