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Crystal and molecular structure of benzoyl-l-leucyl-glycine ethyl ester (l-LEUGLY)

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Abstract

The crystal structure of the dipeptide derivative benzoyl-l-leucylglycine ethyl ester has been determined by direct methods (Multan 78), and refined by fullmatrix least squares toR=0.092 for 1638 reflections;I>3σ(I), CuKα radiation. The space group isP212121,a=20.679(7),b=16.440(6),c=11.034(5) Å,Z=8. Disorder observed in the ethyl ester and leucyl side-chains of the two independent molecules per asymmetric unit probably accounts, at least partially, for the weak diffracting power of the crystals. Both molecules exhibit markedly coiled hydrogen-bonded conformations. An attempt was made to obtain improved hydrogen bond geometry by the use of neutron diffraction data.

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Authors and Affiliations

  1. Department of Crystallography, Birkbeck College, Malet Street, WC1E 7HX, London

    Tapan K. Chattopadhyay & Rex A. Palmer

  2. Institut Max von Laue-Paul Langevin, BP156 Centre de Tri, 38042, Grenoble, Cedex, France

    Peter A. Timmins & Mogens F. Lehmann

Authors
  1. Tapan K. Chattopadhyay
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  2. Rex A. Palmer
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  3. Peter A. Timmins
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  4. Mogens F. Lehmann
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Chattopadhyay, T.K., Palmer, R.A., Timmins, P.A. et al. Crystal and molecular structure of benzoyl-l-leucyl-glycine ethyl ester (l-LEUGLY). Journal of Crystallographic and Spectroscopic Research 17, 783–797 (1987). https://doi.org/10.1007/BF01160742

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  • DOI: https://doi.org/10.1007/BF01160742

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