Information card for entry 4507096

Structure parameters

• Common name: 4-Hydroxybenzamide : sebacic acid : H2O (2:1:2)
• Formula: C12 H18 N O5
• Calculated formula: C12 H18 N O5
• Title of publication: Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
• Authors of publication: Tothadi, Srinu; Desiraju, Gautam R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6188
• a: 12.049 ± 0.003 Å
• b: 5.0649 ± 0.001 Å
• c: 23.609 ± 0.005 Å
• α: 90°
• β: 115.675 ± 0.013°
• γ: 90°
• Cell volume: 1298.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No