TY - JOUR
T1 - Crystal and molecular structure of 2,5-dimethyl-3,4-diacetylpyrrole
AU - Amzel, L. M.
AU - Baggio, S.
AU - Isern, X.
PY - 1973/5/1
Y1 - 1973/5/1
N2 - 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 °.
AB - 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 °.
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U2 - 10.1007/BF01370540
DO - 10.1007/BF01370540
M3 - Article
AN - SCOPUS:34250426940
SN - 0277-8068
VL - 3
SP - 127
EP - 137
JO - Journal of Crystallographic and Spectroscopic Research
JF - Journal of Crystallographic and Spectroscopic Research
IS - 3
ER -