物理化学学报 >> 2007, Vol. 23 >> Issue (08): 1183-1188.doi: 10.1016/S1872-1508(07)60063-1

研究论文 上一篇    下一篇

2-(甲苯-4-磺酰胺基)-苯甲酸的晶体结构、光谱及热性质

熊静; 蔡晓庆; 尹萍; 胡茂林   

  1. 温州大学化学与材料工程学院, 浙江 温州 325027; 大连理工大学精细化工国家重点实验室, 辽宁 大连 116012
  • 收稿日期:2007-03-28 修回日期:2007-04-25 发布日期:2007-08-03
  • 通讯作者: 熊静 E-mail:theresa_xiong@yahoo.com.cn

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

XIONG Jing; CAI Xiao-Qing; YIN Ping; HU Mao-Lin   

  1. College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325027, Zhejiang Province, P. R. China; State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012, Liaoning Province, P. R. China
  • Received:2007-03-28 Revised:2007-04-25 Published:2007-08-03
  • Contact: XIONG Jing E-mail:theresa_xiong@yahoo.com.cn

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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, 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.

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

Abstract: 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…Ohydrogen 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.

Key words: 2-(toluene-4-sulfonylamino)-benzoic acid, Crystal structure, Solvatochromism, Photochromism