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Crystal and molecular structure of 5-carbamyl-5H-dibenzo[b,f] azepine

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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 monoclinicP21/n,a=7.534(1),b=11.150(2),c=13.917(3) Å,β=92.94(4)°,Z=4,D x=1.34 (3) g cm−3,R=0.084 for 1259 observed reflections. The azepine ring has a boat conformation. The fused benzene rings are planar. Molecules are packed as hydrogen-bonded dimers through the carboxamide groups. The atomic charge distribution over the fused ring system is approximately symmetrical.

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Authors and Affiliations

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

    John N. Lisgarten, Rex A. Palmer & Jose W. Saldanha

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  1. John N. Lisgarten
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  2. Rex A. Palmer
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  3. Jose W. Saldanha
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Lisgarten, J.N., Palmer, R.A. & Saldanha, J.W. Crystal and molecular structure of 5-carbamyl-5H-dibenzo[b,f] azepine. Journal of Crystallographic and Spectroscopic Research 19, 641–649 (1989). https://doi.org/10.1007/BF01179836

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  • DOI: https://doi.org/10.1007/BF01179836

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