Two new paracetamol / dioxane solvates - a system exhibiting a reversible solid state phase transformation

R.M. Vrcelj, Nathan I.B. Clark, A.R. Kennedy, D.B. Sheen, E.E.A. Shepherd, J.N. Sherwood

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

This work reports on the crystal structures of two dioxane solvates of paracetamol that are true polymorphs. The high temperature phase is an orthorhombic form, space group Pbca, Z = 8, a = 12.6078(3) î.., b = 12.1129(2) î.., c = 13.4138(3) î.., V = 2048.52(7) î..3, (at 295 K) and the low temperature form is monoclinic, space group P21/c, Z = 4, a = 12.325(6) î.., b = 11.965(4) î.., c = 13.384(6) î.., = 92.01°, V = 1972.6(14)î..3 (at 123 K). The structures of these polymorphs are described as is the interrelationship between the two structures. In addition to the structural interrelationship, it is shown that the two forms undergo a reversible phase transformation. Desolvation of either form generates the stable monoclinic phase of paracetamol.
LanguageEnglish
Pages2069-2073
Number of pages4
JournalJournal of Pharmaceutical Sciences
Volume92
Issue number10
DOIs
Publication statusPublished - 29 Jul 2003

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Acetaminophen
Temperature
1,4-dioxane

Keywords

  • crystallization
  • crystallography
  • polymorphism
  • solvate

Cite this

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title = "Two new paracetamol / dioxane solvates - a system exhibiting a reversible solid state phase transformation",
abstract = "This work reports on the crystal structures of two dioxane solvates of paracetamol that are true polymorphs. The high temperature phase is an orthorhombic form, space group Pbca, Z = 8, a = 12.6078(3) {\^i}.., b = 12.1129(2) {\^i}.., c = 13.4138(3) {\^i}.., V = 2048.52(7) {\^i}..3, (at 295 K) and the low temperature form is monoclinic, space group P21/c, Z = 4, a = 12.325(6) {\^i}.., b = 11.965(4) {\^i}.., c = 13.384(6) {\^i}.., = 92.01°, V = 1972.6(14){\^i}..3 (at 123 K). The structures of these polymorphs are described as is the interrelationship between the two structures. In addition to the structural interrelationship, it is shown that the two forms undergo a reversible phase transformation. Desolvation of either form generates the stable monoclinic phase of paracetamol.",
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Two new paracetamol / dioxane solvates - a system exhibiting a reversible solid state phase transformation. / Vrcelj, R.M.; Clark, Nathan I.B.; Kennedy, A.R.; Sheen, D.B.; Shepherd, E.E.A.; Sherwood, J.N.

In: Journal of Pharmaceutical Sciences, Vol. 92, No. 10, 29.07.2003, p. 2069-2073.

Research output: Contribution to journalArticle

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