Information card for entry 4507093

Structure parameters

• Common name: 4-Hydroxybenzamide : glutaric acid form II (2:1)
• Formula: C19 H22 N2 O8
• Calculated formula: C19 H22 N2 O8
• SMILES: Oc1ccc(C(=O)N)cc1.O=C(N)c1ccc(O)cc1.OC(=O)CCCC(=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: 22.27 ± 0.005 Å
• b: 5.17 ± 0.001 Å
• c: 33.69 ± 0.007 Å
• α: 90°
• β: 92.33 ± 0.03°
• γ: 90°
• Cell volume: 3875.7 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No