Information card for entry 4500675

Structure parameters

• Formula: C22 H19 Cl N4 O7.5 S
• Calculated formula: C22 H19 Cl N4 O7.25 S
• Title of publication: Sulfonamide−Pyridine-N-oxide Cocrystals
• Authors of publication: Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1930
• a: 8.023 ± 0.0006 Å
• b: 8.3201 ± 0.0006 Å
• c: 17.5479 ± 0.0012 Å
• α: 77.734 ± 0.001°
• β: 77.52 ± 0.001°
• γ: 81.286 ± 0.001°
• Cell volume: 1110.71 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No