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    X-ray crystallography and its role in understanding physicochemical properties of pharmaceutical cocrystals

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    Publication date
    2017
    Author
    Aitipamula, S.
    Vangala, Venu R.
    Keyword
    X-ray crystallography; Active pharmaceutical ingredients (APIs); Pharmaceutical cocrystals-crystalline solids; Physicochemical properties of pharmaceutical cocrystals
    Rights
    © 2017 The Authors. This is an Open Access article distributed under the Creative Commons CC-BY license (https://creativecommons.org/licenses/by/4.0/legalcode)
    Peer-Reviewed
    Yes
    
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    Abstract
    Properties of a matter are intrinsically dependent upon the internal arrangement of molecules in the solid state. Therefore, knowledge of 3-dimensional structure of the matter is prerequisite for structure-property correlations and design of functional materials. Over the past century, X-ray crystallography has evolved as a method of choice for accurate determination of molecular structure at atomic resolution. The structural information obtained from crystallographic analysis paved the way for rapid development in electronic devices, mineralogy, geosciences, materials science, pharmaceuticals, etc. Knowledge of the structural information of active pharmaceutical ingredients (APIs) is prerequisite for rational drug design and synthesis of new chemical entities for development as new medicines. Over the past two decades, X-ray crystallography has played a key role in the design of pharmaceutical cocrystals-crystalline solids containing an API and one or more of pharmaceutically acceptable coformers. These materials have proved promising for fine-tuning several important properties of APIs. This short review highlights the history of crystallography, early breakthroughs, and the role of crystallography in understanding physicochemical properties of pharmaceutical cocrystals.
    URI
    http://hdl.handle.net/10454/11421
    Version
    Published version
    Citation
    Aitipamula S and Vangala VR (2017) X-ray crystallography and its role in understanding physicochemical properties of pharmaceutical cocrystals. Journal of the Indian Institute of Science. 97(2): 227-243.
    Link to publisher’s version
    http://dx.doi.org/ 10.1007/s41745-017-0026-4
    Type
    Article
    Collections
    Life Sciences Publications

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