通过粉末X射线衍射确定的三羟甲基氨基甲烷磺基水杨酸盐固态脱水过程中的氢键重组
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- 英文论文题名：Hydrogen-Bond Reorganization of a Solid-State Dehydration Process in a Salt of Tris and Sulfosalicylic Acid,Investigated by PXRD
- 论文作者：徐西坤 ; 刘洪亮 ; 郭放
- 英文论文作者：Xi-Kun Xu ; Hong-Liang Liu ; Fang Guo ; College of Chemistry ; Liaoning University
- 年：2016
- 作者机构：辽宁大学化学院;
- 论文关键词：共晶盐 ; 脱水过程 ; 氢键重组 ; 粉末衍射确定结构
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第十六分会：晶体工程
- 语种：中文
- 分类号：TQ460.1;O641.3
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第十六分会 ; 晶体工程
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：223k
- 原文格式：D
- 会议级别：全国
摘要
药物共晶由于可以改善药物的物理化学性质,在近些年引起了人们极大兴趣~([1])。很多药物共晶是以水合物的形式存在,药物共晶的脱水过程常被忽略,在此,我们首先用机械化学的方法~([2,3])合成了Tris与磺基水杨酸的共晶盐,单晶衍射表明共晶盐是水合物;这种水合物在加热时失去水分子变成微晶~([4]),我们直接通过粉末衍射~([5])表征了脱水相的晶体结构,分析了晶体在固态脱水过程中的氢键的重组现象(Fig.1)。这种固态转变过程普遍存在于药物晶体中,应用粉末衍射的方式确定结构进而研究其性质显就得十分重要.
In recent years,APIs co-crystals have attracted considerable interest for their potential to improve physicochemical properties~([1]).In the present paper,we attempted the mechanochemical synthesis of Tris and sulfosalicylic acid(SA)by LAG method~([2-3]),then hydrated solid salt of SA and Tris undergoes a facile solid-state dehydration process upon heating,in which single crystals of the hydrated phase transform to a microcrystalline powder of an anhydrous product phase~([4]).The structural properties of the anhydrous phase have been determined directly from powder X-ray diffraction data,which revealed that the substantial reorganization of the hydrogen bonding arrangement was associated with the dehydration process,as seen in Fig.1.The application of powder X-ray diffraction technique~([5]) into the structural characterization of polycrystalline product phases produced directly by solid-state transformations of the type discussed herein is very important to further investigate the structure-property relationship of these compounds.
In recent years,APIs co-crystals have attracted considerable interest for their potential to improve physicochemical properties~([1]).In the present paper,we attempted the mechanochemical synthesis of Tris and sulfosalicylic acid(SA)by LAG method~([2-3]),then hydrated solid salt of SA and Tris undergoes a facile solid-state dehydration process upon heating,in which single crystals of the hydrated phase transform to a microcrystalline powder of an anhydrous product phase~([4]).The structural properties of the anhydrous phase have been determined directly from powder X-ray diffraction data,which revealed that the substantial reorganization of the hydrogen bonding arrangement was associated with the dehydration process,as seen in Fig.1.The application of powder X-ray diffraction technique~([5]) into the structural characterization of polycrystalline product phases produced directly by solid-state transformations of the type discussed herein is very important to further investigate the structure-property relationship of these compounds.
引文
[1]D.Braga,S.d’Agostino,E.Dichiarante,L.Maini,F.Grepioni,Chem Asian J,2011,6:2214.
[2]T.Friscic,Chem Soc Rev,2012,41:3493.
[3](a)H.L.Liu,Y.F.Xie,Z.G.Pan,A.Famulari,F.Guo,Z.Zhou,J.Martí-Rujas,Cryst.Growth.Des.,2014,14:6528.(b)F.Guo,M.-Q.Zhang,A.Famulari,J.Martí-Rujas,CrystE ng Comm,2013,15:6237.
[4]X.K.Xu,W.K.Ju,Z.G.Pan,P.Zhang,H.L.Liu,F.Guo,J Chem Crystallogr.,2015,26:1.
[5]F.Guo,K.D.M.Harris,J.Am.Chem.Soc.,2005,127:7314.
[2]T.Friscic,Chem Soc Rev,2012,41:3493.
[3](a)H.L.Liu,Y.F.Xie,Z.G.Pan,A.Famulari,F.Guo,Z.Zhou,J.Martí-Rujas,Cryst.Growth.Des.,2014,14:6528.(b)F.Guo,M.-Q.Zhang,A.Famulari,J.Martí-Rujas,CrystE ng Comm,2013,15:6237.
[4]X.K.Xu,W.K.Ju,Z.G.Pan,P.Zhang,H.L.Liu,F.Guo,J Chem Crystallogr.,2015,26:1.
[5]F.Guo,K.D.M.Harris,J.Am.Chem.Soc.,2005,127:7314.
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