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Molecular and crystal structure of 5,7-diphenyl-7-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine

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Abstract

The molecular and crystal structures of 5,7-diphenyl-7-methyi-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine have been studied by X-ray structural methods. The crystal is monoclinic,a=16.112(3),b=13.489(3),c=14.480(3)Å, β=101.62(2)°,Z=8, space groupC2/c,R=0.071. The presence of short intermolecular contacts indicates considerable steric strain in the molecule. The dihydropyrimidine ring exists in an unevenly planar boat conformation. Increasing the steric strain of the dihydrocycle leads to a twisted conformation.

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Authors and Affiliations

  1. Department of Organic Chemistry, Kharkov University, 4 pl.Svobody, 310077, Kharkov, Ukraine

    O. V. Shishkin, N. V. Getmansky, S. M. Desenko & V. D. Orlov

  2. A.N.Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation

    S. V. Lindeman & Yu. T. Struchkov

Authors
  1. O. V. Shishkin
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  2. N. V. Getmansky
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  3. S. M. Desenko
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  4. V. D. Orlov
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  5. S. V. Lindeman
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  6. Yu. T. Struchkov
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Additional information

Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 1912–1914, November, 1993.

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Shishkin, O.V., Getmansky, N.V., Desenko, S.M. et al. Molecular and crystal structure of 5,7-diphenyl-7-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine. Russ Chem Bull 42, 1827–1829 (1993). https://doi.org/10.1007/BF00698996

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  • DOI: https://doi.org/10.1007/BF00698996

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