The non-centrosymmetric space group organic nonlinear optical single crystal of 4-chloro-2-nitroaniline (4Cl2NA) was developed by slow evaporation method at 40 °C. Grown 4Cl2NA was monoclinic structure with Pc space group which was recognized by single-crystal XRD analysis. An intermolecular contact of 4Cl2NA was visually analysed by Hirshfeld surface analysis. Active functional groups and their respective vibrations were identified by FTIR and FT-Raman spectral analysis. Optical properties were evaluated by UV–Visible spectral analysis. Thermal TG/DTA thermogram analysis and mechanical Vickers hardness analysis revealed that the synthesis material was thermally stable up to 115 °C and mechanical work hardness coefficient (n = 2.98) confirmed the grown crystal was soft material. Laser beam-irradiated LDT analysis expressed the laser utility limitation of the 4Cl2NA crystal. The NLO second harmonic generation efficiency was tested by Kurtz Perry powder method.

4-氯-2-硝基苯胺（4Cl2NA）的非中心对称空间群有机非线性光学单晶在40 ℃下采用慢蒸发法研制。生长的4Cl2NA为具有Pc空间群的单斜晶系结构，经单晶XRD分析证实。通过 Hirshfeld 表面分析直观地分析了 4Cl2NA 的分子间接触。通过 FTIR 和 FT-拉曼光谱分析鉴定了活性官能团及其各自的振动。通过紫外-可见光谱分析评估光学性质。热 TG/DTA 热谱分析和机械维氏硬度分析表明，合成材料在高达 115 °C 和机械功硬度系数（n = 2.98) 证实生长的晶体是软材料。激光束照射的 LDT 分析表明 4Cl2NA 晶体的激光效用限制。采用 Kurtz Perry 粉末法测试 NLO 二次谐波产生效率。