Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4- dihydrocoumarin

Armand Budzianowski and Andrzej Katrusiak


Acta Crystallographica Section B
Structural Science
Volume 58, Part 1 (February 2002)
Acta Cryst. (2002). B58, 125-133 [ doi:10.1107/S0108768101017955 ]
Authorised by IUCr electronic reprint of the article
Revised pages 131 and 132
[doi:10.1107/S0108768102003518/bm9046sup1.pdf]


Abstract

Conformational disorder and inversions of the lactone ring induce structural transformations in the crystals of 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin, C14H18O3. The onset of ordering of the lactone ring at 300 K proceeds continuously, changes the space group from P21/m to P21/c and doubles the unit cell; the abrupt inversion of the lactone rings at 225 K changes the crystal translational symmetry in the (010) plane. The mechanism combining the molecular conformation and dynamics with the crystal structure, its symmetry, and phase transitions is presented.

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A correction has been published for this article:

Acta Crystallographica Section B
Structural Science
Volume 58, Part 3 Number 2 (June 2002)
Acta Cryst. (2002). B58, 565 [doi:10.1107/S0108768102003518]

 

Abstract

In the paper by Budzianowski & Katrusiak (2002) Acta Cryst. (2002), B58, 125-133 Figs. 5 and 8 on pages 131 and 132 were transposed while adjusting colour details indicated by the authors in the proof. Revised PDF versions of these pages are available in the online version of this erratum, which is available through Crystallography Journals Online.

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