Synchrotron powder diffraction, X-ray absorption and 1H nuclear magnetic resonance data for hypoxanthine, C5H4N4O
| Autor: | Jigang Zhou, Anguang Hu, Shiliang Wang, Joel Reid, Toby Bond |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
X-ray absorption spectroscopy
Radiation Materials science Absorption spectroscopy Triclinic crystal system Condensed Matter Physics Synchrotron law.invention Crystallography chemistry.chemical_compound Nuclear magnetic resonance chemistry law Proton NMR General Materials Science Spectroscopy Instrumentation Powder diffraction Hypoxanthine |
| Zdroj: | Powder Diffraction. 30:278-285 |
| ISSN: | 1945-7413 0885-7156 |
| DOI: | 10.1017/s0885715615000457 |
| Popis: | Synchrotron powder X-ray diffraction, X-ray absorption spectroscopy (XAS), and proton nuclear magnetic resonance (1H-NMR) data have been used to examine the structure of hypoxanthine, 1,7-dihydro-6H-purin-6-one (C5H4N4O), a purine base that participates in numerous metabolic processes. XAS and 1H-NMR spectroscopy were used to determine that hypoxanthine was present in its keto form (both in solid state and dissolved in an organic solvent). Rigid body refinement was performed with the Rietveld software package GSAS yielding triclinic lattice parameters of a = 7.1179 (2) Å, b = 9.7830 (3) Å, c = 10.4009 (3) Å, α = 58.876 (1)°, β = 67.609 (1)°, and γ = 71.937 (2)° (C5H4N4O, Z = 4, space group P$\bar 1$). |
| Databáze: | OpenAIRE |
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