Information card for entry 8107709

Structure parameters

• Formula: C22 H15 N3 O7
• Calculated formula: C22 H15 N3 O7
• Title of publication: The crystal structure of the salt: 4-((1,3-dioxoisoindolin-2-yl)carbamoyl)pyridine-1-ium 2-carboxybenzoate, C14H10N3O3·C8H5O4
• Authors of publication: Smith, Mark G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1227 - 1228
• a: 8.1312 ± 0.0003 Å
• b: 10.5732 ± 0.0004 Å
• c: 12.0961 ± 0.0004 Å
• α: 110.933 ± 0.002°
• β: 101.603 ± 0.002°
• γ: 91.295 ± 0.002°
• Cell volume: 946.37 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0889
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No