Synthesis, Crystal Growth, Crystal Arrangement, Optical, Thermal, NLO and Biological Investigations of Heterocyclic Compounds of N-(1,3-benzothiazol-2-yl)benzamide and N-(1,3-benzothiazol-2-yl)-2-fluorobenzamide

Abstract

Heterocyclic organic nonlinear optical materials of N-(1,3-benzothiazol-2-yl)benzamide [2-BTBA] and N-(1,3-benzothiazol-2-yl)-2-fluorobenzamide [2-BTFBA] were orchestrated by benzoylation of 2-aminobenzothiazole utilizing subbed benzoyl chloride. The orchestrated mixtures2-BTBA and 2-BTFBA molecular ion peaks at 253.9 & 272 were affirmed by GC-MS. The grown single crystals of 2-BTBA and 2-BTFBA were developed by slow evaporation method at room temperature with a combination of ethyl acetate & methanol as dissolvable. The X-ray diffraction investigations of equally 2-BTBA & 2-BTFBA crystal have a monoclinic framework with space group P₂₁/n individually. The FT-IR spectra of 2-BTBA and 2-BTFBA show absorption peaks at 1670 and 1660 cm^-1, indicating the presence of carbonyl functional group vibration modes in the molecules. UV–Vis spectra show a awesome absorbance band at 303 & 300 nm for 2-BTBA and 2-BTFBA molecules, respectively. The number of protons and carbons were predicted using ¹H and ¹³C NMR spectrum studies. TGA and DTA analyses confirmed the various stages of disintegration of the produced crystals, and they are thermally stable up to 403 K and 333 K for 2-BTBA and 2-BTFBA, respectively. The zone of hindrance method was used to test the antibacterial and antifungal activities of produced single crystals using amphotericin-B and ciprofloxacin as standards. The outcomesprove that the incorporated mixtures display prevalent anti-fungal and antibacterial activity. The non-linear efficiency was affirmed by Kurtz- Perry concentrates trategy for 2-BTBA and 2-BTFBA crystals with the SHG proficiency 2.28 and 2.83 times more prominent than that of potassium dihydrogen phosphate [KDP].