Information card for entry 2209236

Structure parameters

• Common name: N-Benzyl-4-(hydroxyiminomethyl)pyridinium bromide
• Formula: C13 H13 Br N2 O
• Calculated formula: C13 H13 Br N2 O
• SMILES: ON=Cc1cc[n+](Cc2ccccc2)cc1.[Br-]
• Title of publication: <i>N</i>-Benzyl-4-(hydroxyiminomethyl)pyridinium bromide
• Authors of publication: Renata Odžak; Halasz, Ivan; Srđanka Tomić; Dubravka Matković Čalogović
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2423 - o2424
• a: 10.365 ± 0.002 Å
• b: 9.556 ± 0.002 Å
• c: 13.297 ± 0.003 Å
• α: 90°
• β: 90.918 ± 0.016°
• γ: 90°
• Cell volume: 1316.9 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes