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Derived crystal packing model

A derived crystal packing model proved to be useful in resolving the crystal structure of a metastable polymorph of racemic modafinil, where details of the solved crystal structure of one polymorph was used as a basis for developing the structure of the other [12]. It was found that the calculated XRPD pattern matched well with the experimental data, indicating the correctness of the analysis. The powder diffraction of two polymorphs of chlorothalonil were solved to obtain... [Pg.265]

In crystal chemistry it is important to derive packing models for interpreting experimental data and for postulating new possible structures [l-4. The prediction of new materials and their properties, useful for particular applications, can lead to the planning of new syntheses. Moreover, the differences between the model and the experimentally determined structure can show the limitations of the theory used to build the model, while the interpretation of these differences gives a better understanding of the chemical and physical properties of the material studied. [Pg.304]


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Modeling crystallization

Models derivation

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