Information card for entry 2015130

Structure parameters

• Chemical name: 4-(dimethylamino)benzoic acid
• Formula: C9 H11 N O2
• Calculated formula: C9 H11 N O2
• SMILES: c1(ccc(N(C)C)cc1)C(=O)O
• Title of publication: Two new polymorphs of 4-(<i>N</i>,<i>N</i>-dimethylamino)benzoic acid
• Authors of publication: Aakeröy, Christer B; Desper, John; Levin, Brock
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o702 - o704
• a: 10.3202 ± 0.001 Å
• b: 7.4068 ± 0.0008 Å
• c: 11.2845 ± 0.0011 Å
• α: 90°
• β: 105.505 ± 0.005°
• γ: 90°
• Cell volume: 831.19 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes