Information card for entry 2001394

Structure parameters

• Formula: C8 H14 Cl N O3
• Calculated formula: C8 H14 Cl N O3
• Title of publication: Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate
• Authors of publication: Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1646 - 1649
• a: 6.6361 ± 0.0004 Å
• b: 17.115 ± 0.001 Å
• c: 9.1024 ± 0.0005 Å
• α: 90°
• β: 98.473 ± 0.005°
• γ: 90°
• Cell volume: 1022.54 ± 0.1 ų
• Cell temperature: 138 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No