(E)-2-(1-(4-bromophenyl)ethylidene)-1-tosylhydrazine (4BATH) crystals were successfully synthesized by reflux method, and ethyl acetate was used as a solvent to obtain 4BATH crystal by the slow evaporation solution growth method. The 4BATH structure belongs to monoclinic space group P21/c, and the cell parameters of 4BATH were attained through the single-crystal XRD analysis. FTIR and NMR measurements were used to identify the presence of different functional groups in the formed crystal and the molecular structure. According to the thermal studies, the material is suitable for NLO applications up to 180 °C. The low cut-off wavelength (284 nm) was confirmed by the optical absorption measurements. The charge transfer properties of 4BATH were analyzed using HOMO–LUMO analysis and as high band gap as Eg = 4.260 eV was revealed. The intermolecular interaction in 4BATH crystal is analyzed by Hirshfeld surface analysis. Dielectric characteristics were also studied. The 4BATH compound has an optical limiting threshold value of 2.39 × 10¹² W/m², indicating that it is a deserving material for optical limiting applications.

采用回流法成功合成(E)-2-(1-(4-溴苯基)亚乙基)-1-甲苯磺酰肼(4BATH)晶体，并以乙酸乙酯为溶剂，采用缓慢蒸发溶液生长法得到4BATH晶体。 4BATH结构属于单斜空间群P21/c，通过单晶XRD分析得到了4BATH的晶胞参数。 FTIR 和 NMR 测量用于识别形成的晶体和分子结构中不同官能团的存在。根据热研究，该材料适用于高达 180 °C 的 NLO 应用。通过光吸收测量证实了低截止波长（284 nm）。使用 HOMO-LUMO 分析对 4BATH 的电荷转移特性进行了分析，并揭示了 Eg = 4.260 eV 的高带隙。通过 Hirshfeld 表面分析来分析 4BATH 晶体中的分子间相互作用。还研究了介电特性。 4BATH化合物的光限幅阈值为2.39×10 ¹² W/m ² ，表明它是一种值得用于光限幅应用的材料。