Information card for entry 4501067

Structure parameters

• Chemical name: 2-pyridylmethylammonium picrate
• Formula: C12 H11 N5 O7
• Calculated formula: C12 H11 N5 O7
• SMILES: [O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[NH3+]Cc1ncccc1
• Title of publication: Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks
• Authors of publication: Stilinović, Vladimir; Kaitner, Branko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4110
• a: 35.02 ± 0.004 Å
• b: 4.6148 ± 0.0003 Å
• c: 29.095 ± 0.002 Å
• α: 90°
• β: 142.052 ± 0.003°
• γ: 90°
• Cell volume: 2891.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No