Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 1 (January 2002)

Acta Cryst. (2002). C58, o51-o54 [doi:10.1107/S010827010101770X]

Conformational polymorphism in a chiral spiro-cis-ansa-bridged cyclotriphosphazene derivative

S. J. Coles, D. B. Davies, M. B. Hursthouse, H. Ibisoglu, A. Kiliç and R. A. Shaw

Abstract: The reaction of spermidine with 2,2,4,4-tetrachloro-6,6-diphenylcyclotriphosphazene produces a mixture of products of which one of the fractions is a spiro-cis-ansa derivative, namely 12-chloro-14,14-diphenyl-2,6,11,13,15,16-hexaaza-1,12-diphosphatricyclo[10.3.1.0^1,6]hexadeca-12,14-diene, C₁₉H₂₆ClN₆P₃. Recrystallization of this fraction from different solvents results in the formation of two different crystalline forms. The rod morphology formed in dichloromethane-n-hexane (1:1) produces a triclinic structure with three molecules in the asymmetric unit. These three molecules adopt different conformations as a result of two NH groups flipping in an ansa-bridged ring system. The plate morphology crystals, grown in dichloromethane-n-hexane-ethyl acetate (1:1:1), produce a C-centred monoclinic structure that adopts a conformation that is essentially the same as one of the forms in the triclinic structure.

Formula: Two polymorphs of C₁₉H₂₆ClN₆P₃

Online 22 December 2001


	Structure factor file (CIF format) (686.3 kbytes) Contains datablock I

	Structure factor file (CIF format) (247.6 kbytes) Contains datablock II

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