Information card for entry 2236024

Structure parameters

• Chemical name: 4-[(2-Hydroxybenzyl)amino]pyridinium nitrate
• Formula: C12 H13 N3 O4
• Calculated formula: C12 H13 N3 O4
• SMILES: Oc1c(CNc2cc[nH+]cc2)cccc1.O=N(=O)[O-]
• Title of publication: 4-[(2-Hydroxybenzyl)amino]pyridinium nitrate
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2474
• a: 13.611 ± 0.004 Å
• b: 12.687 ± 0.003 Å
• c: 10.03 ± 0.002 Å
• α: 90°
• β: 132.694 ± 0.012°
• γ: 90°
• Cell volume: 1273 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes