Crystal and molecular structure of methyl 6-bromo-6-iodopenicillanate-1-oxide

K. Simon, J. Cs Jászberényi, L. Párkányi

Research output: Article


Methyl 6-bromo-6-iodopenicillanate-1-oxide has been prepared and the S1 and C6 configurations studied by single-crystal X-ray analysis. The crystals are monoclinic, with space group P21 (No. 4), with two molecules in a unit cell of dimensions a = 11.943(3), b = 6.153(2), c = 9.795(2) A and β = 100.30(2)0. This study corroborated earlier 1H and 13C NMR evidence that the molecule has 1R (α)-sulphoxide. At C-6, the bromine is in the α, and the iodine in the β position.

Original languageEnglish
Pages (from-to)369-374
Number of pages6
JournalJournal of Molecular Structure
Issue number3-4
Publication statusPublished - márc. 1985

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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