Information card for entry 2019029

Structure parameters

• Chemical name: (<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate
• Formula: C9 H13 N5 O6
• Calculated formula: C9 H13 N5 O6
• SMILES: O=C(N/N=C/c1c(O)c([nH+]cc1CO)C)N.O=N(=O)[O-]
• Title of publication: (<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate
• Authors of publication: Novaković, Sladjana B.; Bogdanović, Goran A.; Leovac, Vukadin M.; Rodić, Marko V.; Vojinović-Ješić, Ljiljana S.; Ivković, Sonja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 761 - 764
• a: 7.1093 ± 0.0003 Å
• b: 8.1905 ± 0.0004 Å
• c: 11.6494 ± 0.0006 Å
• α: 110.117 ± 0.005°
• β: 93.566 ± 0.004°
• γ: 104.589 ± 0.004°
• Cell volume: 608.09 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0435
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes