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http://hdl.handle.net/2445/174118
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DC Field | Value | Language |
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dc.contributor.author | Ejarque, Daniel | - |
dc.contributor.author | Calvet Pallàs, Maria Teresa | - |
dc.contributor.author | Font Bardia, Ma. Mercedes | - |
dc.contributor.author | Pons, Josefina | - |
dc.date.accessioned | 2021-02-22T09:50:00Z | - |
dc.date.available | 2021-02-22T09:50:00Z | - |
dc.date.issued | 2021-02-16 | - |
dc.identifier.issn | 2073-4352 | - |
dc.identifier.uri | http://hdl.handle.net/2445/174118 | - |
dc.description.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. | - |
dc.format.extent | 16 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | MDPI | - |
dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.3390/cryst11020191 | - |
dc.relation.ispartof | Crystals, 2021, vol. 11, num. 2, p. 191 | - |
dc.relation.uri | https://doi.org/10.3390/cryst11020191 | - |
dc.rights | cc-by (c) Ejarque, D. et al., 2021 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es | - |
dc.source | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) | - |
dc.subject.classification | Cristalls | - |
dc.subject.classification | Estructura cristal·lina (Sòlids) | - |
dc.subject.classification | Lligands (Bioquímica) | - |
dc.subject.other | Crystals | - |
dc.subject.other | Layer structure (Solids) | - |
dc.subject.other | Ligands (Biochemistry) | - |
dc.title | Cocrystals Based on 4,4'-bipyridine: Influence of Crystal Packing on Melting Point | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 707224 | - |
dc.date.updated | 2021-02-22T09:50:00Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) |
Files in This Item:
File | Description | Size | Format | |
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707224.pdf | 3.37 MB | Adobe PDF | View/Open |
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