Structures of inorganic rings as antitumor agents: I. Structure of the two allotropic varieties of 1,3,3,5,5-penta(1-aziridinyl)-1λ6,2,4,6,3,5-thiatri­azadi­phosphorine 1-oxide, (NPaz2)2-(NSOaz)

J. Galy, R. Enjalbert, A. A. van der Huizen, J. C. van de Grampel, J. F. Labarre

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    Abstract

    The two allotropic varieties of the title compound N3P2SO(NC2H4) 5 have been studied; they are respectively named SOaz(I) and SOaz(II). SOaz(I) crystallizes in the orthorhombic system, space group P2~2~2~, with a - 8.972 (1), b = 23.547 (2), c = 8.028 (1) A, and Z = 4, V = 1696 A 3, d m = 1.40 (5), d x = 1.419 Mg m -3,/t(Mo Ka) = 0.39 mm -~, m.p. = 357 K. SOaz(II) is monoclinic, P2~/c, with a -- 15.614(4), b -- 14.151(6), c = 16.310(6) A, fl = 114.7 (1) °, and Z = 8, V = 3274 A 3, d m = 1.45 (5), d x = 1.471 Mg m -3,/~(Mo Kct) = 0.41 mm -l, m.p. = 376 K. Both structures have been determined using direct methods and refined to conventional R factors of 0.051 [SOaz(I)] and 0.035 [SOaz(II)] for 1492 and 2242 reflections respectively. SOaz(I) contains one type of N3PzSO(NC2H4) 5 molecule, and SOaz(II) two types, A and B; these three different types of molecule exhibit drastic changes in their conformation. This last fact is explained by the possible rotation around the (P-N) and (S-N) bonds which link the aziridinyl groups to the six-membered ring N3P2S.
    Original languageEnglish
    Pages (from-to)2205-2209
    Number of pages5
    JournalActa Crystallographica Section B: Structural Science
    Volume37
    DOIs
    Publication statusPublished - Dec-1981

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