Information card for entry 7226677

Structure parameters

• Formula: C24 H22 N4 O6
• Calculated formula: C24 H22 N4 O6
• SMILES: c1(ccn(=O)cc1)c1ccn(cc1)=O.c1(ccc(cc1)C(=O)O)N.c1(ccc(cc1)C(=O)O)N
• 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: 10.977 ± 0.003 Å
• b: 12.112 ± 0.004 Å
• c: 16.439 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2185.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No