Information card for entry 2212913

Structure parameters

• Chemical name: 4-picoline N-oxide‒hydroquinone (1/1)
• Formula: C12 H13 N O3
• Calculated formula: C12 H13 N O3
• Title of publication: Three-centre hydrogen bonds in 4-picoline <i>N</i>-oxide‒hydroquinone (1/1)
• Authors of publication: Moreno-Fuquen, Rodolfo; Valderrama-N, Jaime; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1534 - o1536
• a: 13.0486 ± 0.0002 Å
• b: 11.2091 ± 0.0002 Å
• c: 9.0905 ± 0.0003 Å
• α: 90°
• β: 121.625 ± 0.002°
• γ: 90°
• Cell volume: 1132.16 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes