Information card for entry 2230990

Structure parameters

• Common name: 3-Hydroxy-4-(3-hydroxyphenyl)-2-quinolone monohydrate
• Chemical name: 3-hydroxy-4-(3-hydroxyphenyl)-1<i>H</i>-quinolin-2-one monohydrate
• Formula: C15 H13 N O4
• Calculated formula: C15 H13 N O4
• SMILES: c1(cc(ccc1)O)c1c(c(=O)[nH]c2ccccc12)O.O
• Title of publication: 3-Hydroxy-4-(3-hydroxyphenyl)-2-quinolone monohydrate
• Authors of publication: Tao, Yi-Wen; Wang, Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2195 - o2196
• a: 6.9845 ± 0.0005 Å
• b: 10.0632 ± 0.0007 Å
• c: 10.3361 ± 0.0006 Å
• α: 109.204 ± 0.006°
• β: 103.251 ± 0.005°
• γ: 101.015 ± 0.006°
• Cell volume: 639.12 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes