Information card for entry 2212015

Structure parameters

• Chemical name: 6-Amino-2-naphthoic acid monohydrate
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• Title of publication: 6-Amino-2-naphthoic acid monohydrate
• Authors of publication: Liu, Xiao-Gang; Chen, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o597 - o598
• a: 22.582 ± 0.005 Å
• b: 12.222 ± 0.002 Å
• c: 6.9793 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1926.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes