Crystal Structure and (Non)linear Optical Properties of a Cyanuric Acid Isoniazid <1/1> Co-crystal: Shortcomings of Phase Matching Determination from Powdered Samples

A co-crystal containing cyanuric acid and a pharmaceutically active isoniazid molecule with possible applications in optoelectronics is described. The crystal structure of the designed material was determined using a single crystal X-ray diffraction technique. Examination of optical properties by theoretical calculations and experimental measurements shows that the obtained material exhibits large birefringence and second harmonic generation...