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Pressure-Induced High-to-Low Z' Phase Transition of a Conformationally Disordered Molecular Crystal.
- Source :
-
Crystal Growth & Design . 5/2/2018, Vol. 18 Issue 5, p3187-3192. 6p. - Publication Year :
- 2018
-
Abstract
- Conformational disorder in the structure of monoclinic phase α of 6-chloro-4,4,5,7-tetramethyldihydrocumarin (C12H15ClO2), with four symmetry-independent molecules (Z' = 4) is eliminated either by cooling below 200 K at 0.1 MPa or by compression to above 0.64 GPa at 296 K. However, high-pressure conditions are essential for transforming this compound to triclinic phase β, structurally related to phase α, but with two ordered molecules in the asymmetric unit (Z' = 2). The isothermal compression triggers the α-to-β transition at 1.65 GPa, whereas 0.7 GPa suffices for obtaining phase β by the isochoric recrystallization. In phase α, two pairs of independent molecules are differentiated by the conformational disorder, but its elimination at 200 K does not trigger the phase transition, even at 100 K. [ABSTRACT FROM AUTHOR]
- Subjects :
- *MOLECULAR crystals
*PHASE transitions
*ISOTHERMAL compression
Subjects
Details
- Language :
- English
- ISSN :
- 15287483
- Volume :
- 18
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Crystal Growth & Design
- Publication Type :
- Academic Journal
- Accession number :
- 129638290
- Full Text :
- https://doi.org/10.1021/acs.cgd.8b00282