Polymorphism in pentacene

Christine C. Mattheus, Anne B. Dros, Jacob Baas, Auke Meetsma, Jan L. de Boer, Thomas T.M. Palstra

Research output: Contribution to journalArticleAcademicpeer-review

361 Citations (Scopus)


Pentacene, C22H14, crystallizes in different morphologies characterized by their d(001)-spacings of 14.1, 14.5, 15.0 and 15.4 Å. We have studied the crystal structure of the 14.1 and 14.5 Å d-spacing morphologies grown by vapour transport and from solution. We find a close correspondence between the 14.1 Å structure reported by Holmes, Kumaraswamy, Matzeger & Vollhardt [Chem. Eur. J. (1999), 5, 3399-3412] and the 14.5 Å structure reported by Campbell, Monteath Robertson & Trotter [Acta Cryst. (1961), 14, 705-711]. Single crystals commonly adopt the 14.1 Å d-spacing morphology with an inversion centre on both molecules in the unit cell. Thin films grown on SiO2 substrates above 350 K preferentially adopt the 14.5 Å d-spacing morphology, with a slightly smaller unit-cell volume.

Original languageEnglish
Pages (from-to)939-941
Number of pages3
JournalActa Crystallographica Section C: Crystal Structure Communications
Issue number8
Publication statusPublished - 1 Jan 2001
Externally publishedYes


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