Modelling disorder in 3,3' -dimethoxybensil, C[subscript 16]H[subscript 14]O[subscript 4]
Journal Article
·
· Z. Kristallogr.
OSTI ID:1008603
- ANU
This work is part of an extended study of benzil (C{sub 14}H{sub 10}O{sub 2}) and some of its derivatives which aims to understand the role of molecular flexibility in crystal packing and polymorphism. Significant steps have been made in modelling the structured thermal diffuse scattering from 3,3'-dimethoxybenzil, C{sub 16}H{sub 1}4O{sub 4}. It appears that the structure can be considered as a stack of layers of molecules in which interactions are strongest within the layers. The layers interact weakly along the a direction but more strongly along c, so shearing of the planes relative to each other is energetically likely. The molecule must be treated as flexible for a good model to be found.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1008603
- Journal Information:
- Z. Kristallogr., Vol. 220, Issue (12) ; 2005; ISSN 0044-2968
- Country of Publication:
- United States
- Language:
- ENGLISH
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