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Mechanical Behaviour Modulation through Substituent Reversal in Schiff Base Molecular Crystals
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DOI：10.1039/D6NJ01952H.png)
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Abstract
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Two structurally analogous Schiff base derivatives; NB-CN [(E)-4-((4-nitrobenzylidene)amino)benzonitrile] and CN-NB [(E)-4-(((4-nitrophenyl)imino)methyl)benzonitrile]; differing only in the positions of the para-substituents; were synthesised to investigate the influence of substituent reversal on intermolecular interactions and crystal packing. Structural analysis reveals that NB-CN molecule forms a rigid three-dimensional network associated with brittle behaviour; whereas CN-NB molecule exhibits isotropic packing supported by weak intermolecular interactions that facilitate elastic deformation. The mechanical properties of NB-CN and CN-NB crystals are explained by the quantitative description of intermolecular interaction energies.
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