Information card for entry 2022187

Structure parameters

• Common name: Pigment Red 48 monosodium salt monohydrate
• Chemical name: Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate monohydrate
• Formula: C18 H14 Cl N2 Na O7 S
• Calculated formula: C18 H14 Cl N2 Na O7 S
• Title of publication: Two monosodium salt hydrates of Colour Index Pigment Red 48
• Authors of publication: Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• a: 18.2222 ± 0.0002 Å
• b: 5.9486 ± 0.0001 Å
• c: 16.9361 ± 0.0002 Å
• α: 90°
• β: 92.037 ± 0.001°
• γ: 90°
• Cell volume: 1834.66 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes