Information card for entry 2237218

Structure parameters

• Chemical name: 2,2'-({4-[(4-Nitrophenyl)diazenyl]phenyl}imino)diethanol
• Formula: C16 H18 N4 O4
• Calculated formula: C16 H18 N4 O4
• SMILES: OCCN(c1ccc(N=Nc2ccc(N(=O)=O)cc2)cc1)CCO
• Title of publication: 2,2'-({4-[(4-Nitrophenyl)diazenyl]phenyl}imino)diethanol
• Authors of publication: Duangthongyou, Tanwawan; Suwanruji, Potjanart; Suesat, Jantip; Achiwawanich, Supakit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o22
• a: 19 ± 0.003 Å
• b: 7.3502 ± 0.0016 Å
• c: 11.0825 ± 0.0016 Å
• α: 90°
• β: 92.06 ± 0.008°
• γ: 90°
• Cell volume: 1546.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes