2-(甲苯-4-磺酰胺基)-苯甲酸的晶体结构、光谱及热性质(英文)  

Crystal Structure, Spectroscopic and Thermal Properties of 2-(toluene-4-sulfonylamino)-benzoic Acid

作　　者：熊静[1] 蔡晓庆[1] 尹萍[1] 胡茂林[1] 

机构地区：[1]温州大学化学与材料工程学院

出　　处：《物理化学学报》2007年第8期1183-1188,共6页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(20571057);温州科技计划项目(S20060029)资助

摘　　要：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,!=90°,"=98.728(3)°,#=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$…$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.The structure of 2-（toluene-4-sulfonylamino）-benzoic acid （Ⅱ） 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） nm^3, 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. Moreover, fluorescence spectra and thermal analysis （DSC-TGA） indicated that the compound I was a photochromic and heatproof material.

关 键 词：2-(甲苯-4-磺酰胺基)-苯甲酸 晶体结构 溶剂效应 光效应 

分 类 号：O625.1[理学—有机化学]