Structures of inorganic rings as antitumor agents

Part V*. Structures of the aziridino derivatives (NPAz₂)₂ NSOX with X = F and Ph

¹ Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, (Canada) B3H 4J3., Canada.
² Laboratoire Structure et Vie, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex, (France).
³ Department of Inorganic Chemistry, University of Groningen, Nijenborgh 16, 9747 AG Groningen, (The Netherlands).

Abstract

(NPAz₂)₂NSOF, C₈H₁₆FN₇OP₂S, Mr = 339.3, monoclinic, a = 10.506(2), b = 16.964(3), c = 8.506(1)Å, γ = 98.77(1)°. Z = 4, Dc = 1.508 g.cm^-3, space group P2₁/b, 2606 unique reflections, R = 0.053; (NPAz₂)₂ NSOPh, C₁₄H₂₁N₇OP₂S, Mr = 397.4, orthorhombic, a = 8.043(2), b = 15.116(1), c = 15.763(6)Å, Z = 4, D_c = 1.377 g.cm-3, space group P2₁2₁2₁, 1686 unique reflections, R = 0.025. Monochromatic MoK_a1 radiation (λ = 0.70926 Å) was used. The structures were solved by the direct methods. Conformations of aziridinyl wings in both structures are compared with situations in other aziridinocyclophosphazenes and in (NPAz₂)₂NSOAz with the aim of understanding the variable antitumour activity within the series and of designing better drugs yet.

Résumé

(NPAz₂)₂NSOF, C₈H₁₆FN₇OP₂S, Mr = 339,3, monoclinique, a = 10,506(2), b = 16.964(3), c = 8.506(1)Å, y = 98,77(1)°. Z = 4, D_c = 1.508 g.cm^-3, groupe d'espace P2₁/b, 2606 réflexions uniques, R = 0.053; (NPAz₂)₂ NSOPh, C₁₄H₂₁N₇OP₂S, Mr = 397,4, orthorhombique, a = 8.043(2), b = 15.116(1), c = 15.763(6)Å, Z = 4, D_c = 1.377 g.cm^-3, groupe d'espace P2₁2₁27, 1686 réflexions uniques, R = 0.025. La radiation monochromatique MoK_a1 (λ = 0.70926 Å) a été utilisée. Les structures ont été résolues par les méthodes directes. Les conformations des pales aziridinyles dans les deux structures sont comparées à ce qu'elles sont dans les autres aziridinocyclotriphosphazènes et aziridinocyclodiphosphathiazènes antitumoraux dans le but d'établir des relations structure-activité qui permettent de dessiner de nouvelles substances encore plus actives.