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Issue 23, 2017
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Solvent effects and its role in quantitatively manipulating the crystal growth: benzoic acid as case study

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Abstract

In the pharmaceutical industry, solvent effect is a fundamental and profound factor in controlling the crystal morphology and leading to different physical and chemical properties of raw materials. There is a requirement for quantitative understanding of the crystal habit modification controlled by solvents for the manipulation of crystal shapes and aspect ratios during crystal growth processes. Herein, the solvent effects on the crystal growth of benzoic acid (BA) were studied through morphology analysis of observed crystals, in conjunction with molecular dynamic (MD) simulation. The aspect ratio of experimental crystals of BA in 16 selected solvents was found to decrease on increasing the solvent polarity. Moreover, the aspect ratio changes due to molecular size of the solvents were proposed and discussed in detail. Through agreement with MD simulation, we accurately reproduced the experimental crystal morphology and the aspect ratio in alcohols. This study helps to gain quantitative understanding of the role played by solvents on the aspect ratio and morphological changes of BA crystals.

Graphical abstract: Solvent effects and its role in quantitatively manipulating the crystal growth: benzoic acid as case study

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Publication details

The article was received on 08 Mar 2017, accepted on 09 May 2017 and first published on 15 May 2017


Article type: Paper
DOI: 10.1039/C7CE00474E
Citation: CrystEngComm, 2017,19, 3198-3205
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    Solvent effects and its role in quantitatively manipulating the crystal growth: benzoic acid as case study

    Y. Wang and Z. Liang, CrystEngComm, 2017, 19, 3198
    DOI: 10.1039/C7CE00474E

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