Crystal and molecular structure of 2,5-dimethyl-3,4-diacetylpyrrole

Mario L Amzel, S. Baggio, X. Isern

Research output: Contribution to journalArticle

Abstract

An X-ray crystallographic study of 2,5-dimethyl-3,4-diacetylpyrrole showed that the crystals are monoclinic, space group P21/n, a = 10·01(3), b = 12·93(3), c = 7·41(2) Å and β = 91·5(5) °. The crystal structure was solved by direct methods and refined by least squares to a final R factor of 0·13. The values determined for the bond distances and angles of the pyrrole ring are in good agreement with the values reported in the literature. However, there are significant changes in the exocyclic bond angles of the atoms of the ring. The planes of the acetyl groups are tilted with respect to the ring plane, forming dihedral angles of 22 ° and 40 °.

Original languageEnglish (US)
Pages (from-to)127-137
Number of pages11
JournalJournal of Crystal and Molecular Structure
Volume3
Issue number3
DOIs
StatePublished - May 1973

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Pyrroles
R Factors
Dihedral angle
Molecular Structure
Least-Squares Analysis
Molecular structure
molecular structure
Crystal structure
X-Rays
X rays
Atoms
Crystals
crystal structure
rings
pyrroles
dihedral angle
crystals
atoms
x rays

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Spectroscopy
  • Structural Biology

Cite this

Crystal and molecular structure of 2,5-dimethyl-3,4-diacetylpyrrole. / Amzel, Mario L; Baggio, S.; Isern, X.

In: Journal of Crystal and Molecular Structure, Vol. 3, No. 3, 05.1973, p. 127-137.

Research output: Contribution to journalArticle

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