Information card for entry 2009699

Structure parameters

• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: O=C(c1ccccc1)NCCC(=O)O
• Title of publication: 3-(Benzoylamino)propanoic acid and 6-[(4-nitrobenzoyl)amino]hexanoic acid
• 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: 813 - 816
• a: 15.93 ± 0.001 Å
• b: 10.86 ± 0.002 Å
• c: 11.135 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1926.4 ± 0.8 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: 0.05
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No