摘要:The structure of 2-(toluene-4-sulfonylamino)-benzoic acid (Ⅰ) derived from X-ray diffraction of a single crystal was presented and verified by using FT-IR, NMR, and elemental analyses. The compound was crystallized in the monoclinic space group C2/c. The lattice parameters are, a=2.7320(3) nm, b=0.85441(8) nm, c=1.17607(11) nm,α=90°, β=98.728(3)°,γ=90°, V=2.7135(5) nm3, and Z=8. The unimolecules in compound I are engaged in N-H…O and O-H…O hydrogen bonds leading to centrosymmetric dimers, which are interlocked through two distinctly different types of C-H…O hydrogen bonds and face-to-face π…π interactions resulting in an intriguing supramolecular structure. The compound Ⅰ exhibited solvatochromism as evidenced from UV-Vis study in different solvent media.oreover, fluorescence spectra and thermal analysis (DSC-TGA) indicated that the compound Ⅰ was a photochromic and heatproof material.%报道了2-(甲苯-4-磺酰胺基)-苯甲酸(Ⅰ)的元素分析和红外、核磁共振光谱性质并通过单晶X射线衍射确定了其晶体结构.晶体属单斜晶系,空间群为C2/c,晶胞参数为,a=2.7320(3)nm,b=0.85441(8)nm,c=1.17607(11)nm,α=90°,β=98.728(3)°,γ=90°,V=2.7135(5)nm3,Z=8.晶体中分子单体通过N-H…O和O-H…O氢键作用形成具有中心对称的二聚体,且进一步通过两种不同的C-H…O氢键和π…π作用形成超分子结构.在不同的溶剂中,化合物Ⅰ的紫外吸收表现出明显的溶剂效应,此外,荧光光谱与DSC-TGA热重分析表明,该化合物是一种耐热的荧光材料.