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Crystallographic studies in the pyrrole series. Part I. Crystal and molecular structure of ethyl 4-acetyl-3-ethyl-5-methylpyrrole-2-carboxylate

Bonnett, R; Hursthouse, MB; Neidle, S; (1972) Crystallographic studies in the pyrrole series. Part I. Crystal and molecular structure of ethyl 4-acetyl-3-ethyl-5-methylpyrrole-2-carboxylate. Journal of the Chemical Society, Perkin Transactions 2 (7) pp. 902-906.

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Abstract

Crystals of the title compound are monoclinic, space group P21/n, Z = 4, with cell dimensions a = 6.772(3), b = 14.628(5), c = 12.187(5) Å, and β = 94.20(12)°. The structure was solved by direct methods, and refined by least-squares to R 0.0615 for the 1531 statistically significant reflections measured. The geometry of the molecule is compared with that observed for the pyrrole ring in other systems; in particular it has been observed that the normal symmetrical bonding arrangement in the ring is here considerably perturbed, owing to the electronic effects of the substituents.

Type: Article
Title: Crystallographic studies in the pyrrole series. Part I. Crystal and molecular structure of ethyl 4-acetyl-3-ethyl-5-methylpyrrole-2-carboxylate
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
URI: http://discovery.ucl.ac.uk/id/eprint/1378806
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