In situ X-ray observation of pedal-like conformational change and dimerization of trans-cinnamamide in cocrystals with phthalic acid

S. Ohba, H. Hosomi, Y. Ito

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In the crystals of phthalic acid trans-cinnamamide (1:2), two molecules of cinnamamide are connected with phthalic acid via a hydrogen bond to form a three-component assembly. The C=C double bonds of two cinnamamides take a criss-crossed arrangement with a center-to-center distance of 4.252(3) Å and with a twist angle of 97.1(4)°. After a partial single-crystal-to-single-crystal transformation, X-ray analysis revealed the β-type photodimer of cinnamamide in the assembly at 13.2(3)% conversion. This suggests that the pedal-like conformational change occurred for one of the cinnamamide molecules and the C=C bond of the other cinnamamide moved approximately parallel to form a cyclobutane ring.

Original languageEnglish
Pages (from-to)6349-6352
Number of pages4
JournalJournal of the American Chemical Society
Issue number26
Publication statusPublished - 2001 Oct 9


ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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