Information card for entry 2009702

Structure parameters

• Formula: C12 H15 N O3
• Calculated formula: C12 H14 N O3
• Title of publication: 6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III)
• Authors of publication: Feeder, N.; Jones, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 816 - 820
• a: 24.22 ± 0.009 Å
• b: 9.675 ± 0.006 Å
• c: 10.094 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2365 ± 2 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for significantly intense reflections: 0.922
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No