Information card for entry 2234393

Structure parameters

• Common name: 4-Chloroanilinium hydrogen maleate
• Chemical name: 4-Chloroanilinium 3-carboxyprop-2-enoate
• Formula: C10 H10 Cl N O4
• Calculated formula: C10 H10 Cl N O4
• SMILES: c1([NH3+])ccc(cc1)Cl.O=C([O-])/C=C\C(=O)O
• Title of publication: 4-Chloroanilinium 3-carboxyprop-2-enoate
• Authors of publication: Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o959 - o960
• a: 3.8932 ± 0.0003 Å
• b: 9.1841 ± 0.0006 Å
• c: 14.8394 ± 0.0009 Å
• α: 90°
• β: 93.664 ± 0.012°
• γ: 90°
• Cell volume: 529.51 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes