Information card for entry 8105550

Structure parameters

• Formula: C20 H21 N3 O7 S
• Calculated formula: C20 H21 N3 O7 S
• Title of publication: Crystal structure of (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazineyl) terephthalic acid-dimethylsulfoxide (1/1), C18H15N3O6 ⋅ C2H6OS
• Authors of publication: Mammadova, Gunay Z.; Brito, Iván; Cárdenas, Alejandro
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 83 - 85
• a: 15.762 ± 0.009 Å
• b: 6.013 ± 0.004 Å
• c: 22.264 ± 0.011 Å
• α: 90°
• β: 103.522 ± 0.019°
• γ: 90°
• Cell volume: 2052 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0923
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No