Polymorphism of trans-1,4-Cyclohexanediol: Conformational Isomorphism

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• 作者：Teresa M. R. Maria ; Ricardo A. E. Castro ; Suse S. Bebiano ; M. Ramos Silva ; A. Matos Beja ; Joo Canotilho ; M. Ermelinda S. Eusbio
• 刊名：Crystal Growth & Design
• 出版年：2010
• 出版时间：March 3, 2010
• 年：2010
• 卷：10
• 期：3
• 页码：1194-1200
• 全文大小：1036K
• 年卷期：v.10,no.3(March 3, 2010)
• ISSN：1528-7505

文摘

In this work, an investigation on the polymorphism of trans-1,4-cyclohexanediol is performed. Polymorph screening is carried out by crystallization from solutions, by sublimation, and by cooling the melt, and a combined approach using differential scanning calorimetry, polarized light thermomicroscopy, and X-ray diffraction is employed in the results interpretation. Three solid forms, I, II, and III (Steiner et al. J. Chem. Soc., Perkin Trans. 2 1998, 371−377), are identified, I and II, for the first time, and their relative stability established. The crystal structure of polymorph II is resolved by single crystal X-ray diffraction: a monoclinic P2₁/a space group structure. This polymorph, as polymorph III (Steiner et al. J. Chem. Soc., Perkin Trans. 2 1998, 371−377), exhibits unusual conformational isomorphism, that is, the coexistence of the biequatorial and the biaxial conformers in the same crystal structure.