Information card for entry 2233455

Structure parameters

• Common name: 2-Hydroxyl-1-naphthaldehyde isonicotinoyl hydrazone nitrate
• Chemical name: (<i>E</i>)-4-{2-[(2-Hydroxynaphthalen-1- yl)methylidene]hydrazinecarbonyl}pyridinium nitrate
• Formula: C17 H14 N4 O5
• Calculated formula: C17 H14 N4 O5
• SMILES: Oc1c(c2c(cc1)cccc2)/C=N/NC(=O)c1cc[nH+]cc1.N(=O)(=O)[O-]
• Title of publication: (<i>E</i>)-4-{2-[(2-Hydroxynaphthalen-1-yl)methylidene]hydrazinecarbonyl}pyridinium nitrate
• Authors of publication: Bikas, Rahman; Hosseini Monfared, Hassan; Lis, Tadeusz; Siczek, Milosz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o367 - o368
• a: 8.695 ± 0.003 Å
• b: 6.375 ± 0.002 Å
• c: 28.955 ± 0.009 Å
• α: 90°
• β: 98.19 ± 0.04°
• γ: 90°
• Cell volume: 1588.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes