Thermoanalytical study of nimesulide and their recrystallization products obtained from solutions of several alcohols

被引：18
|
作者：
Galico, D. A. [1 ]
Perpetuo, G. L. [1 ]
Castro, R. A. E. [2 ]
Treu-Filho, O. [3 ]
Legendre, A. O. [1 ]
Galhiane, M. S. [1 ]
Bannach, G. [1 ]
机构：
[1] Univ Estadual Paulista, UNESP, Fac Ciencias, Dept Quim, BR-17033260 Sao Paulo, Brazil
[2] Univ Coimbra, Fac Farm, CEF, P-3000548 Coimbra, Portugal
[3] Univ Estadual Paulista, UNESP, Inst Quim, BR-14800900 Sao Paulo, Brazil
来源：
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY | 2014年 / 115卷 / 03期
基金：
巴西圣保罗研究基金会;
关键词：
Nimesulide; Thermal behavior; Infrared spectroscopy; Theoretical calculations; Polymorphism; BEHAVIOR;
D O I：
10.1007/s10973-013-3294-x
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Thermogravimetry, differential scanning calorimetry, and vibrational infrared spectroscopy were used to study nimesulide and its recrystallization products that were obtained from solutions of several alcohols. The thermoanalytical measurements were performed in both air and nitrogen atmospheres and the results suggest that, under the experimental conditions used in this paper, it was possible to obtain neither polymorphic nor pseudopolymorphic forms of this drug. In this investigation, quantum chemical approach methods were used to determine the molecular structures using the Becke three-parameter hybrid method and the Lee-Yang-Parr correlation functional. The performed molecular calculations were done with the Gaussian 09 routine and the theoretical calculation results were correlated with the experimental IR vibrational spectrum.
引用
收藏
页码：2385 / 2390
页数：6
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