Information card for entry 2219386

Structure parameters

• Chemical name: 4-[(3-Formyl-4-hydroxyphenyl)diazenyl]-<i>N</i>-(pyrimidin-2- yl)benzenesulfonamide
• Formula: C17 H13 N5 O4 S
• Calculated formula: C17 H13 N5 O4 S
• SMILES: O=Cc1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ncccn2)ccc1O
• Title of publication: 4-[(3-Formyl-4-hydroxyphenyl)diazenyl]-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamide
• Authors of publication: El-Ghamry, Hoda; Issa, Raafat; El-Baradie, Kamal; Isagai, Keiko; Masaoka, Shigeyuki; Sakai, Ken
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1673 - o1674
• a: 18.579 ± 0.002 Å
• b: 5.7731 ± 0.0007 Å
• c: 17.372 ± 0.002 Å
• α: 90°
• β: 115.99 ± 0.01°
• γ: 90°
• Cell volume: 1674.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes