Information card for entry 2227494

Structure parameters

• Chemical name: 2-Amino-5-chloropyridinium (<i>Z</i>)-3-carboxyprop-2-enoate 0.25-hydrate
• Formula: C9 H9.5 Cl N2 O4.25
• Calculated formula: C9 H9.5 Cl N2 O4.25
• Title of publication: 2-Amino-5-chloropyridinium (<i>Z</i>)-3-carboxyprop-2-enoate 0.25-hydrate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2457 - o2458
• a: 23.899 ± 0.004 Å
• b: 48.298 ± 0.008 Å
• c: 3.7314 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4307.1 ± 1.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes