Information card for entry 2231276

Structure parameters

• Chemical name: 2-Hydroxy-<i>N</i>-(2-hydroxyethyl)benzamide
• Formula: C9 H11 N O3
• Calculated formula: C9 H11 N O3
• SMILES: O=C(NCCO)c1c(O)cccc1
• Title of publication: 2-Hydroxy-<i>N</i>-(2-hydroxyethyl)benzamide
• Authors of publication: Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2117
• a: 8.5852 ± 0.0005 Å
• b: 12.1716 ± 0.0007 Å
• c: 9.1113 ± 0.0004 Å
• α: 90°
• β: 115.682 ± 0.002°
• γ: 90°
• Cell volume: 858.04 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes