Information card for entry 7240631

Structure parameters

• Common name: 2-aminopyridinium 2,5-dinitrophenolate
• Chemical name: 2-aminopyridinium 2,5-dinitrophenolate
• Formula: C11 H10 N4 O5
• Calculated formula: C11 H10 N4 O5
• Title of publication: Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies
• Authors of publication: Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 30.03 ± 0.009 Å
• b: 3.728 ± 0.0009 Å
• c: 21.08 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No