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5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride
dc.contributor.author | Chachlaki, Elpiniki | |
dc.contributor.author | Choquesillo Lazarte, Duane | |
dc.contributor.author | Demadis, Konstantinos D. | |
dc.date.accessioned | 2022-07-20T10:46:40Z | |
dc.date.available | 2022-07-20T10:46:40Z | |
dc.date.issued | 2022 | |
dc.identifier.citation | Chachlaki et al. 5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride. IUCrData (2022). 7, x220189 [https://doi.org/10.1107/S2414314622001894] | es_ES |
dc.identifier.uri | http://hdl.handle.net/10481/76314 | |
dc.description | Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314622001894/tx4001sup1.cif Contains datablock I | es_ES |
dc.description | Structure factor file (CIF format) https://doi.org/10.1107/S2414314622001894/tx4001Isup4.hkl Contains datablock I | es_ES |
dc.description | MDL mol file https://doi.org/10.1107/S2414314622001894/tx4001Isup5.mol Supplementary material | es_ES |
dc.description | Chemical Markup Language (CML) file https://doi.org/10.1107/S2414314622001894/tx4001Isup4.cml Supplementary material | es_ES |
dc.description.abstract | The new triazole-functionalized phosphonic acid 5-phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride, C10H13N3O3P+·Cl− (PTEPHCl), was synthesized by the `click' reaction of the alkyl azide diethyl-(2-azidoethyl)phosphonate with phenylacetylene to give the diethyl[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethyl]phosphonate ester, which was then hydrolyzed under acidic conditions (HCl) to give the `free' phosphonic acid. The use of HCl for the hydrolysis caused protonation of the triazole ring, rendering the compound cationic, charged-balanced by a Cl− anion. There are extensive hydrogen-bonding interactions in the structure of PTEPHCl, involving the phosphonic acid (–PO3H2) group, the triazolium ring and the Cl− anion. | es_ES |
dc.description.sponsorship | Research project ‘Innovative Materials and Applications’ (INNOVAMAT, KA 10694) by the Special Account for Research Grants | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | International Union of Crystallography | es_ES |
dc.rights | Atribución 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
dc.subject | Phosphonate | es_ES |
dc.subject | Triazole | es_ES |
dc.subject | Hydrogen bonding | es_ES |
dc.subject | Click Chemistry | es_ES |
dc.subject | Crystal structure | es_ES |
dc.title | 5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride | es_ES |
dc.type | journal article | es_ES |
dc.rights.accessRights | open access | es_ES |
dc.identifier.doi | 10.1107/S2414314622001894 | |
dc.type.hasVersion | VoR | es_ES |