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Engineering Crystallography: From Molecule to Crystal to Functional Form pp 109–131Cite as

Crystal Growth and Morphology of Molecular Crystals

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Abstract

Organic molecular crystals are often the main active ingredient in pharmaceutical drug products. The crystal morphology of these materials plays a significant role in their ease of separation from the mother solution phase, physical behaviour during downstream unit processes and their dissolution profiles and delivery of the active ingredient to the patient. Molecular modelling can be used to predict crystal morphologies, in terms of the strengths of their internal intermolecular interactions and their external crystallisation environment, hence providing a guide to the experimental conditions required to produce a pre-defined crystal morphology.

Here, the use of calculations of intermolecular interaction strength, nature and directionality in the prediction and analysis of morphologies is reviewed. These calculations are in terms of the intermolecular interactions within the crystal structure, along with the solute/solvent interactions at the crystal/solution interface, to predict an equilibrium morphology and habit modification that can be governed by the crystallisation solvent.

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Authors and Affiliations

  1. School of Chemical and Process Engineering, University of Leeds, Leeds, LS2 9JT, UK

    Ian Rosbottom & Kevin J. Roberts

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  1. Ian Rosbottom
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  2. Kevin J. Roberts
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Correspondence to Kevin J. Roberts .

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Editors and Affiliations

  1. School of Chemical & Process Engineering, University of Leeds, Leeds, United Kingdom

    Kevin J. Roberts

  2. Pfizer Global R&D, Pharmaceutical Sciences, Pfizer Global R&D, Sandwich, Kent, United Kingdom

    Robert Docherty

  3. Graduate School of Human and Environmental Studies, Kyoto University, Sakyo-ku, Kyoto, Japan

    Rui Tamura

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Rosbottom, I., Roberts, K.J. (2017). Crystal Growth and Morphology of Molecular Crystals. In: Roberts, K., Docherty, R., Tamura, R. (eds) Engineering Crystallography: From Molecule to Crystal to Functional Form. NATO Science for Peace and Security Series A: Chemistry and Biology. Springer, Dordrecht. https://doi.org/10.1007/978-94-024-1117-1_7

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