Information card for entry 4507100

Structure parameters

• Common name: 4-hydroxybenzamide
• Formula: C7 H7 N O2
• Calculated formula: C7 H7 N O2
• SMILES: Oc1ccc(C(=O)N)cc1
• 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: 7.91 ± 0.0016 Å
• b: 5.274 ± 0.0011 Å
• c: 8.451 ± 0.0017 Å
• α: 90°
• β: 108.78 ± 0.03°
• γ: 90°
• Cell volume: 333.78 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No