Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/174118
Title: Cocrystals Based on 4,4'-bipyridine: Influence of Crystal Packing on Melting Point
Author: Ejarque, D.
Calvet Pallàs, Maria Teresa
Font Bardia, Ma. Mercedes
Pons, J.
Keywords: Cristalls
Estructura cristal·lina (Sòlids)
Lligands (Bioquímica)
Crystals
Layer structure (Solids)
Ligands (Biochemistry)
Issue Date: 16-Feb-2021
Publisher: MDPI
Abstract: The reactions of piperonylic acid (HPip) and cinnamic acid (HCinn) with 4,4'-bipyridine (4,4'-bipy) have been assayed using the same synthetic methodology, yielding two binary cocrystals with different acid:4,4'-bipy molar ratios, (HPip)(4,4'-bipy) (1) and (HCinn)2(4,4'-bipy) (2). The melting point (m.p.) of these cocrystals have been measured and a remarkable difference (DT 78 C) between them was observed. Moreover, the two cocrystals have been characterized by powder X-ray diffraction (PXRD), elemental analysis (EA), FTIR-ATR, 1H NMR spectroscopies, and single-crystal X-ray diffraction. The study of their structural packings via Hirshfeld surface analysis and energy frameworks revealed the important contribution of the pi..pi and C-H...pi interactions to the formation of different structural packing motifs, this being the main reason for the difference of m.p. between them. Moreover, it has been observed that 1 and 2 presented the same packing motifs as the crystal structure of their corresponding carboxylic acids, but 1 and 2 showed lower m.p. than those of the carboxylic acids, which could be related to the lower strength of the acid-pyridine heterosynthons respect to the acid-acid homosynthons in the crystal structures.
Note: Reproducció del document publicat a: https://doi.org/10.3390/cryst11020191
It is part of: Crystals, 2021, vol. 11, num. 2, p. 191
URI: http://hdl.handle.net/2445/174118
Related resource: https://doi.org/10.3390/cryst11020191
ISSN: 2073-4352
Appears in Collections:Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

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