Information card for entry 2022186

Structure parameters

• Common name: Pigment Red 48 monosodium salt dihydrate
• Chemical name: Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate dihydrate
• Formula: C18 H16 Cl N2 Na O8 S
• Calculated formula: C18 H16 Cl N2 Na O8 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: 18.5318 ± 0.0009 Å
• b: 5.9396 ± 0.0003 Å
• c: 17.4426 ± 0.001 Å
• α: 90°
• β: 95.528 ± 0.004°
• γ: 90°
• Cell volume: 1911 ± 0.17 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: 0.0648
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes