Information card for entry 7226673

Structure parameters

• Formula: C15 H14 N O5
• Calculated formula: C15 H14 N O5
• Title of publication: Pyridine N-oxides as coformers in the development of drug cocrystals
• Authors of publication: Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 43
• Pages of publication: 8454
• a: 10.1347 ± 0.0004 Å
• b: 10.8799 ± 0.0005 Å
• c: 12.0819 ± 0.0005 Å
• α: 90°
• β: 101.789 ± 0.002°
• γ: 90°
• Cell volume: 1304.1 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No