Information card for entry 2238630

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(2-Hydroxypropane-1,3-diyl)bis(2-hydroxybenzamide) monohydrate
• Formula: C17 H20 N2 O6
• Calculated formula: C17 H20 N2 O6
• SMILES: OC(CNC(=O)c1ccccc1O)CNC(=O)c1ccccc1O.O
• Title of publication: <i>N</i>,<i>N</i>'-(2-Hydroxypropane-1,3-diyl)bis(2-hydroxybenzamide) monohydrate
• Authors of publication: Yebedri, Sihem; Louhibi, Samira; Bouacida, Sofiane; Ourari, Ali; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1591
• a: 12.8969 ± 0.001 Å
• b: 28.001 ± 0.002 Å
• c: 4.533 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1637 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No