Concomitant and conformational polymorphism, conformational isomorphism, and phase relationships in 4-cyanopyridine•4,4′-biphenol cocrystals

被引:51
作者
Bis, JA [1 ]
Vishweshwar, P [1 ]
Middleton, RA [1 ]
Zaworotko, MJ [1 ]
机构
[1] Univ S Florida, Dept Chem, Tampa, FL 33620 USA
关键词
D O I
10.1021/cg0680024
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The 2:1 co-crystal of 4-cyanopyridine and 4,4'-biphenol exists in at least two polymorphic forms. Single-crystal X-ray crystallographic analysis of forms I and II revealed conformational differences in the 4,4'-biphenol molecules, but O-H center dot center dot center dot N(pyridine) supramolecular heterosynthons sustain both forms, suggesting that O-H center dot center dot center dot N(pyridine) interactions are favored over competing O-H center dot center dot center dot N(cyano) interactions. These conformational polymorphs crystallize concomitantly, and conformational isomorphism is also observed in this co-crystal. Experimental conditions that induce transformations between form I and form II are described. The structural differences between form I and II are discussed in the broader context of conformational polymorphism.
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收藏
页码:1048 / 1053
页数:6
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