Information card for entry 2226296

Structure parameters

• Common name: 2-Amino-5-chloropyridine‒fumaric acid (1/2)
• Chemical name: 2-Amino-5-chloropyridine‒(<i>E</i>)-butenedioic acid (1/2)
• Formula: C7 H7 Cl N2 O2
• Calculated formula: C7 H7 Cl N2 O2
• SMILES: Nc1ccc(cn1)Cl.Nc1ccc(cn1)Cl.OC(=O)/C=C/C(=O)O
• Title of publication: 2-Amino-5-chloropyridine‒fumaric acid (1/2)
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1416 - o1417
• a: 13.678 ± 0.004 Å
• b: 5.0586 ± 0.0015 Å
• c: 11.531 ± 0.003 Å
• α: 90°
• β: 103.442 ± 0.007°
• γ: 90°
• Cell volume: 776 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1433
• 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