“…Furthermore, the S39À C36, S39À N40, S39À O49, and S39À O50 lengths belonging to the benzenesulfonamide ring were determined by XRD at 1.76, 1.60, 1.39, and 1.41 Å [70] whereas they were predicted by DFT at 1.79, 1.71, 1.45, and 1.46 Å. Related to the thiazole ring, C42À N40, C42À N48, C42À S43, and S43À C45 lengths were calculated as 1.40, 1.30, 1.76, and 1.74 Å and recorded [71] as 1.31, 1.33, 1.75, and 1.83 Å. As expected aromatic ring systems, the bond angles C1À C2À C3, C3À C4À C8, C4À C5À C6, and C4À C5À C16 of the pyrene ring were estimated at 120.8°, 120.2°, 119.2°, and 118.8°whereas they were reported [69] at 120.5°, 119.8°, 119.6°, and 118.5°, respectively.…”