Information card for entry 4508716

Structure parameters

• Common name: 3-hydroxypyridine-N-oxide
• Chemical name: 3-hydroxypyridine-N-oxide
• Formula: C5 H5 N O2
• Calculated formula: C5 H5 N O2
• Title of publication: Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules
• Authors of publication: Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1278
• a: 6.3536 ± 0.0008 Å
• b: 6.5014 ± 0.0008 Å
• c: 6.9499 ± 0.0008 Å
• α: 113.794 ± 0.002°
• β: 99.65 ± 0.002°
• γ: 106.93 ± 0.002°
• Cell volume: 237.59 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No