Solvent effects of the structures of prenucleation aggregates of carbamazepine

被引：57
|
作者：
Hunter, Christopher A. [1 ]
McCabe, James F.
Spitaleri, Andrea [1 ]
机构：
[1] Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England
来源：
CRYSTENGCOMM | 2012年 / 14卷 / 21期
关键词：
X-RAY-DIFFRACTION; PHYSICOCHEMICAL PROPERTIES; CHEMICAL-SHIFT; NUCLEATION; POLYMORPHS; H-1-NMR; ASSOCIATION; SEARCH;
D O I：
10.1039/c2ce25941a
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Solution phase NMR structures of carbamazepine dimers have been determined in CD3OH and in CDCl3. Dimerization is mediated by aromatic interactions in CD3OH and by H-bonding in CDCl3. Comparison of the two solution phase structures with dimer motifs found the X-ray crystal structure reveals remarkable similarities. The results suggest that the solution dimers represent first steps on the pathway to crystal nucleation and show that the structures of these prenucleation aggregates depend strongly on solvent.
引用
收藏
页码：7115 / 7117
页数：3
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