Information card for entry 2238581

Structure parameters

• Chemical name: 3-{[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylidene]amino}pyridinium perchlorate
• Formula: C16 H13 Cl N2 O5
• Calculated formula: C16 H13 Cl N2 O5
• SMILES: Cl(=O)(=O)(=O)[O-].Oc1c(c2ccccc2cc1)/C=N/c1ccc[nH+]c1
• Title of publication: 3-{[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylidene]amino}pyridinium perchlorate
• Authors of publication: Damous, Maamar; Dénès, George; Bouacida, Sofiane; Hamlaoui, Meriem; Merazig, Hocine; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1460 - o1461
• a: 6.5043 ± 0.0009 Å
• b: 14.6915 ± 0.0019 Å
• c: 15.398 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.4 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes