Information card for entry 2013627

Structure parameters

• Common name: Anilinium malate
• Chemical name: anilinium monohydrogen (DL)-malate
• Formula: C10 H13 N O5
• Calculated formula: C10 H13 N O5
• SMILES: O=C([O-])C(O)CC(=O)O.[NH3+]c1ccccc1
• Title of publication: Anilinium monohydrogen <small>DL</small>-malate
• Authors of publication: Genivaldo Julio Perpétuo; Jan Janczak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o709 - o711
• a: 6.18 ± 0.001 Å
• b: 7.545 ± 0.002 Å
• c: 12.425 ± 0.002 Å
• α: 91.23 ± 0.03°
• β: 102.27 ± 0.03°
• γ: 108.8 ± 0.03°
• Cell volume: 533.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1074
• 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: Yes