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Crystal structures of 2-phenyl- and 2-benzyl-5,6-dihydro-6-hydroxy-7H-1,2,4-triazolo [3,2-b] 1,3-thiazines

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Abstract

The examined compounds crystallize in the monoclinic space groupsP2 1/c (phenyl derivative,1) andP2 1/a (benzyl derivative,2). The unit cell parametersa, b, c (Å) and β (°) were: 6.402(1), 16.506(1), 10.144(1), 97.48(1) for1 and 12.099(2), 4.612(1), 21.712(4) and 105.20(2) for2. The finalR(Rw) factors were 0.043 (0.041) and 0.121 (0.126) for1 and2, respectively. Both molecules have similar geometry of the bicyclic system with flat 1,2,4-triazole rings, sofa conformations of 1,3-thiazole ones and axial hydroxy groups. In the crystals the molecules form infinite chains (by means of O−H...N(4) hydrogen bonds), enantiomeric in1 and racemic in2.

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Authors and Affiliations

  1. Institute of General and Ecological Chemistry, Technical University of Łódź, 90-924, Łódź, Poland

    Mark L. Główka

  2. Department of Organic Chemistry, Medical Academy, 80-416, Gdańsk, Poland

    Henryk Foks & Waleria Rudnicka

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  1. Mark L. Główka
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  2. Henryk Foks
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  3. Waleria Rudnicka
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Główka, M.L., Foks, H. & Rudnicka, W. Crystal structures of 2-phenyl- and 2-benzyl-5,6-dihydro-6-hydroxy-7H-1,2,4-triazolo [3,2-b] 1,3-thiazines. J Chem Crystallogr 24, 527–530 (1994). https://doi.org/10.1007/BF01666732

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  • DOI: https://doi.org/10.1007/BF01666732

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