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X-ray structural and potential energy studies on zentropil (5,5-diphenyl-2,4-imidazolidine dione)

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Abstract

The structure of the title compound has been determined by direct methods from diffractometer data and refined by full-matrix least squares. Crystals are orthorhombicPn21 a,a=6.228(1),b=13.568(1),c=15.520(2)Å,Z=4,D x =1.34 g cm−3,R=0.072 for 1,152 observed reflections. The plane of the imidazolidinedione ring forms angles of 113.9° and 114.1° with the planes through the two phenyl rings. The phenyl-phenyl angle is 89.1°. Intermolecular hydrogen-bonding occurs between the oxygen and nitrogen atoms of the imidazolidinedione moiety.

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References

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Authors and Affiliations

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

    T. K. Chattopadhyay & R. A. Palmer

  2. Department of Ultrastructure, IMOL, Vrije Universitiet Brussel, Sint-Genesius-Rode, Paardenstraat 65, 1640, Brussels, Belgium

    J. N. Lisgarten

Authors
  1. T. K. Chattopadhyay
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  2. R. A. Palmer
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  3. J. N. Lisgarten
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Chattopadhyay, T.K., Palmer, R.A. & Lisgarten, J.N. X-ray structural and potential energy studies on zentropil (5,5-diphenyl-2,4-imidazolidine dione). Journal of Crystallographic and Spectroscopic Research 23, 149–152 (1993). https://doi.org/10.1007/BF01195449

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  • DOI: https://doi.org/10.1007/BF01195449

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