Non-covalent interactions towards 2-(4-(2,2-dicyanovinyl) benzylidene)malononitrile packing polymorphism due to solvent effect. Experimental and theoretical spectroscopy approach

Armando E. Castillo,Enrique Pérez-Gutiérrez,Paulina Ceballos,Perumal Venkatesan,Subbiah Thamotharan,Maxime A. Siegler,M. Judith Percino

Journal of Molecular Structure（2023）

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摘要

-One case of packing polymorphism due to solvent.-SCXRD analysis revealed two polymorphs with same monoclinic system and space group.-Experimental and theoretical spectroscopy characterization approach.-QTAIM, PIXEL, Hirshfeld surface, and 2D-FP to evaluate non-covalent interactions.

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关键词

Packing polymorphism,Non-covalent interactions,Hirshfeld surface,Solvent effect,QTAIM,Optical properties

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