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Order–disorder phase transition in dichlorodurene (1978)

Messager, J. C. ; Cailleau, H. ; Yelon, W. B.

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 34 (1978), S. 384-388

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ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: The structure of dichlorodurene in the ordered phase was determined from neutron diffraction data at 70 K with the help of intra- and intermolecular potential calculations already published [Messager & Sanquer (1974). Mol. Cryst. Liq. Cryst. 26, 373-380]. The space group is the same as at room temperature, P21/a, but the cell parameters are integer multiples of those at room temperature, and there are three molecules in the asymmetric unit, instead of half a molecule. The phase transition is of order-disorder type and the first-order nature of this transition is established by the observation of a weak hysteresis.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0567739478000789

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