Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 3 (March 2007)

organic compounds

gd3078 scheme

Acta Cryst. (2007). C63, o152-o156 [ doi:10.1107/S0108270107003046 ]

Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene

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

Abstract: A second, polymorphic, form of the previously reported compound 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene, C₅H₁₀Cl₄N₃O₂P₃, is now reported. The molecular structures of these two compounds are similar, aside from minor conformational differences. However, the compounds crystallize in two different space groups and exhibit quite different crystal structure assemblies. Additionally, 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene, C₁₀H₂₀Cl₂N₃O₄P₃, is shown to exhibit two different conformational polymorphs when crystallized from different solvent mixtures. The [alpha] form crystallizes in the space group Pnma with the molecular structure lying on a mirror plane (symmetry code: x, -y + ${1\over 2}$ , z), whilst the [beta] form is in the space group C2/c with the molecular structure lying on a twofold axis (symmetry code: -x, y, -z + ${3\over 2}$ ). The difference between the two molecular structures is in the conformation of the spiro-ring substituents with respect to the phosphazene ring. The resulting crystal structures give rise to differing packing motifs.

Formula: C₅H₁₀Cl₄N₃O₂P₃ and two forms of C₁₀H₂₀Cl₂N₃O₄P₃


	Structure factor file (CIF format) (159.1 kbytes) [ doi:10.1107/S0108270107003046/gd3078Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (105.5 kbytes) [ doi:10.1107/S0108270107003046/gd3078IIasup3.hkl ] Contains datablock IIa

	Structure factor file (CIF format) (98.6 kbytes) [ doi:10.1107/S0108270107003046/gd3078IIbsup4.hkl ] Contains datablock IIb

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