Information card for entry 2242598

Structure parameters

• Common name: 2-Amino-5-methylpyridinium 3,5-dinitrosalicylate
• Chemical name: 2-Amino-5-methylpyridinium 2-hydroxy-3,5-dinitrobenzoate
• Formula: C13 H12 N4 O7
• Calculated formula: C13 H12 N4 O7
• Title of publication: A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures
• Authors of publication: Fábry, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1344 - 1357
• a: 5.8673 ± 0.0007 Å
• b: 8.0991 ± 0.0009 Å
• c: 15.2437 ± 0.0017 Å
• α: 86.844 ± 0.003°
• β: 84.252 ± 0.003°
• γ: 81.209 ± 0.003°
• Cell volume: 711.69 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0596
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 2.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No