Information card for entry 2219612

Structure parameters

• Chemical name: 2-Carboxyanilinium chloride monohydrate
• Formula: C7 H10 Cl N O3
• Calculated formula: C7 H10 Cl N O3
• SMILES: [Cl-].OC(=O)c1ccccc1[NH3+].O
• Title of publication: 2-Carboxyanilinium chloride monohydrate
• Authors of publication: Zaidi, Syed Azeem Rashid Ali; Tahir, M. Nawaz; Iqbal, Javed; Chaudhary, Muhammad Ashraf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1957
• a: 23.094 ± 0.004 Å
• b: 4.7833 ± 0.0008 Å
• c: 16.381 ± 0.003 Å
• α: 90°
• β: 91.605 ± 0.009°
• γ: 90°
• Cell volume: 1808.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes