Information card for entry 4507099

Structure parameters

• Common name: 4-hydroxybenzamide:maleic acid
• Formula: C11 H11 N O6
• Calculated formula: C11 H11 N O6
• SMILES: Oc1ccc(cc1)C(=O)N.OC(=O)/C=C\C(=O)O
• 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: 8.17 ± 0.007 Å
• b: 12.268 ± 0.009 Å
• c: 11.354 ± 0.009 Å
• α: 90°
• β: 91.004 ± 0.007°
• γ: 90°
• Cell volume: 1137.8 ± 1.6 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: 0.0439
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No