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http://hdl.handle.net/2445/161870
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DC Field | Value | Language |
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dc.contributor.author | Barbas Cañero, Rafael | - |
dc.contributor.author | Prohens López, Rafael | - |
dc.contributor.author | Font Bardia, Ma. Mercedes | - |
dc.contributor.author | Bauzá, Antonio | - |
dc.contributor.author | Frontera, Antonio | - |
dc.date.accessioned | 2020-05-21T09:09:32Z | - |
dc.date.available | 2020-05-21T09:09:32Z | - |
dc.date.issued | 2018 | - |
dc.identifier.issn | 1466-8033 | - |
dc.identifier.uri | http://hdl.handle.net/2445/161870 | - |
dc.description.abstract | Herein we report the X-ray characterization of four sildenafil solvates where the conformation of the pyrazolo[3,4-d]pyrimidine and phenyl rings depends on the solvent. It conditions the formation of an apparently innocent intramolecular H-bond that has a remarkable influence on the solid state architecture of the sildenafil solvates. DFT calculations indicate that a delicate balance between the energies of H-bonding and π-π (or lp-π) interactions are crucial. | - |
dc.format.extent | 16 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Royal Society of Chemistry | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1039/c8ce00567b | - |
dc.relation.ispartof | Crystengcomm, 2018, vol. 20, num. 32, p. 4526-4530 | - |
dc.relation.uri | https://doi.org/10.1039/c8ce00567b | - |
dc.rights | (c) Barbas Cañero, Rafael et al., 2018 | - |
dc.source | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) | - |
dc.subject.classification | Cristal·lografia | - |
dc.subject.classification | Estructura cristal·lina (Sòlids) | - |
dc.subject.other | Crystallography | - |
dc.subject.other | Layer structure (Solids) | - |
dc.title | Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 686527 | - |
dc.date.updated | 2020-05-21T09:09:32Z | - |
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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686527.pdf | 1.42 MB | Adobe PDF | View/Open |
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