Crystal structure and hirshfeld surface analysis of 2,2′-Bi-(3-phenyl-2H-1,4-benzothiazine)

Abstract

Abstract The asymmetric unit of the title compound, C28 H20 N2 S2, has been synthesized and its crystal structure was confirmed by single crystal X-ray diffraction studies. The compound was crystallized with two independent molecules (A and B) in the asymmetric unit (Z’ = 2). The compound of crystal exhibited monoclinic crystal system with space group P21/c having unit cell parameters: a = 23.7701(13) A, b = 11.7698(6) A, c = 16.8357(10) A, β = 104.184(6)°. The dihedral angle between mean planes of the two thiazine ring systems are 3.5 (2)° and 2.5 (2)° in molecules A and B, respectively. Hirshfeld surface analysis provided two-dimensional fingerprint plots showing C···H, S···H, N···H and H···H contacts and 50% of intermolecular interactions were occupied by H···H type of interactions in the crystal packing.