Enantiotropic conformational polymorphism in 2,2,4,4-bis-(2′,2′-dimethylpropane-1′,3′-dioxy)-6,6-dichlorocyclotriphosphazene

Ferda Hacıvelioğlu; Riccardo Montis; David B. Davies; Adem Kılıç; Michael B. Hursthouse; Simon J. Coles

doi:10.1039/C1CE05163F

Enantiotropic conformational polymorphism in 2,2,4,4-bis-(2′,2′-dimethylpropane-1′,3′-dioxy)-6,6-dichlorocyclotriphosphazene†

Ferda Hacıvelioğlu,*^ab Riccardo Montis,^a David B. Davies,^c Adem Kılıç,^b Michael B. Hursthouse^a and Simon J. Coles*^a

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* Corresponding authors

^a University of Southampton, School of Chemistry, Highfield, Southampton, UK
E-mail: s.j.coles@soton.ac.uk
Fax: +44(0) 2380596723
Tel: +44(0) 2380596721

^b Gebze Institute of Technology, Department of Chemistry, P.O. Box: 141, Gebze 41400, Kocaeli, Turkey
E-mail: ferda@gyte.edu.tr
Fax: +90 262 605 3101
Tel: +90 262 605 3055

^c School of Biological and Chemical Sciences, Birkbeck College (University of London), Malet Street, London, UK

Abstract

Conformational polymorphism has previously been observed in 2,2-dichloro-4,4:6,6-bis(2,2′-dimethlypropane-1,3-dioxy)-cyclotriphosphazene and the crystal structures of two forms were reported. In that study the melting points of both forms (α and β) were reported as 211–212 °C and no investigation was made on the stability of, or the thermodynamic relationships between the polymorphs. In the present work the two forms were characterized by various analytical techniques, such as single-crystal X-ray diffraction, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), thermomicroscopy (TM) and variable temperature single crystal and powder X-ray diffraction. Thermal analysis suggests that the polymorphs are enantiotropically related and it is found that the solid–solid transformation of the β to α form may start with defects of α form inside the β form followed by a nucleation and growth type mechanism involving at least three main molecular centred events; conformational change, rotation and tilting.

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DOI: https://doi.org/10.1039/C1CE05163F
Article type: Paper
Submitted: 02 Feb 2011
Accepted: 22 Mar 2011
First published: 15 Apr 2011

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CrystEngComm, 2011,13, 4102-4109

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Enantiotropic conformational polymorphism in 2,2,4,4-bis-(2′,2′-dimethylpropane-1′,3′-dioxy)-6,6-dichlorocyclotriphosphazene

F. Hacıvelioğlu, R. Montis, D. B. Davies, A. Kılıç, M. B. Hursthouse and S. J. Coles, CrystEngComm, 2011, 13, 4102 DOI: 10.1039/C1CE05163F

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CrystEngComm

Enantiotropic conformational polymorphism in 2,2,4,4-bis-(2′,2′-dimethylpropane-1′,3′-dioxy)-6,6-dichlorocyclotriphosphazene†

Abstract

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Enantiotropic conformational polymorphism in 2,2,4,4-bis-(2′,2′-dimethylpropane-1′,3′-dioxy)-6,6-dichlorocyclotriphosphazene

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