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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

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
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
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.
0108-2701
o152-o156
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Davies, D.B.
bf1a738f-6739-4e53-ad8b-f860b599f597
Hacivelioglu, F.
d1df970a-e18f-48d1-92f8-e019c712e9ba
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Ibisoglu, H.
d02665c2-a86b-4013-b6f9-48902447e2f7
Kilic, A.
1406287f-d0aa-4211-b97a-1853ec5ee5b1
Shaw, R.A.
2b5836d0-91f9-468a-b7fe-365beb0a4052
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Davies, D.B.
bf1a738f-6739-4e53-ad8b-f860b599f597
Hacivelioglu, F.
d1df970a-e18f-48d1-92f8-e019c712e9ba
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Ibisoglu, H.
d02665c2-a86b-4013-b6f9-48902447e2f7
Kilic, A.
1406287f-d0aa-4211-b97a-1853ec5ee5b1
Shaw, R.A.
2b5836d0-91f9-468a-b7fe-365beb0a4052

Coles, Simon J., Davies, D.B., Hacivelioglu, F., Hursthouse, Michael B., Ibisoglu, H., Kilic, A. and Shaw, R.A. (2007) 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. Acta Crystallographica Section C: Crystal Structure Communications, 63 (3), o152-o156. (doi:10.1107/S0108270107003046).

Record type: Article

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.

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Published date: 2007
Organisations: Chemistry

Identifiers

Local EPrints ID: 149263
URI: http://eprints.soton.ac.uk/id/eprint/149263
ISSN: 0108-2701
PURE UUID: ecfd9b44-36b8-458a-9cb0-d14db3891ec9
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272

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Date deposited: 10 May 2010 10:22
Last modified: 14 Mar 2024 02:43

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Contributors

Author: Simon J. Coles ORCID iD
Author: D.B. Davies
Author: F. Hacivelioglu
Author: H. Ibisoglu
Author: A. Kilic
Author: R.A. Shaw

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