دورية أكاديمية
Structure of the caffeine-pyrogallol complex: revisiting a pioneering structural analysis of a model pharmaceutical cocrystal.
| العنوان: | Structure of the caffeine-pyrogallol complex: revisiting a pioneering structural analysis of a model pharmaceutical cocrystal. |
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| المؤلفون: | Al Rahal O; School of Chemistry, University of Birmingham, Edgbaston, B15 2TT, UK. t.friscic@bham.ac.uk., Ferguson M; School of Chemistry, University of Birmingham, Edgbaston, B15 2TT, UK. t.friscic@bham.ac.uk., Lennox CB; School of Chemistry, University of Birmingham, Edgbaston, B15 2TT, UK. t.friscic@bham.ac.uk.; Department of Chemistry, McGill University, 801 Sherbrooke St. W., H3A 0B8 Montreal, Canada., Male L; School of Chemistry, University of Birmingham, Edgbaston, B15 2TT, UK. t.friscic@bham.ac.uk., Friščić T; School of Chemistry, University of Birmingham, Edgbaston, B15 2TT, UK. t.friscic@bham.ac.uk.; Department of Chemistry, McGill University, 801 Sherbrooke St. W., H3A 0B8 Montreal, Canada. |
| المصدر: | Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2024 Jul 16; Vol. 60 (58), pp. 7431-7434. Date of Electronic Publication: 2024 Jul 16. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 9610838 Publication Model: Electronic Cited Medium: Internet ISSN: 1364-548X (Electronic) Linking ISSN: 13597345 NLM ISO Abbreviation: Chem Commun (Camb) Subsets: MEDLINE |
| أسماء مطبوعة: | Original Publication: Cambridge : Royal Society of Chemistry |
| مواضيع طبية MeSH: | Caffeine*/chemistry , Pyrogallol*/chemistry , Pyrogallol*/analogs & derivatives, Molecular Structure ; Crystallization ; Models, Molecular ; Crystallography, X-Ray |
| مستخلص: | The 1967 attempt of structural analysis of the solid-state complex of caffeine and pyrogallol was a pioneering structural investigation in the supramolecular chemistry of caffeine, of what today would easily be considered an archetype of a model pharmaceutical cocrystal. Re-investigating this historically important system demonstrates that this long overlooked complex is most likely a tetrahydrate with a different structure and composition than initially proposed, and provides the crystal structure of the anhydrous cocrystal. |
| المشرفين على المادة: | 3G6A5W338E (Caffeine) 01Y4A2QXY0 (Pyrogallol) |
| تواريخ الأحداث: | Date Created: 20240628 Date Completed: 20240716 Latest Revision: 20240716 |
| رمز التحديث: | 20240716 |
| DOI: | 10.1039/d4cc02289k |
| PMID: | 38938210 |
| قاعدة البيانات: | MEDLINE |
| تدمد: | 1364-548X |
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| DOI: | 10.1039/d4cc02289k |