Information card for entry 2206410

Structure parameters

• Chemical name: 4-[(2-Chloro-4-nitrophenyl)diazenyl]phenol dimethylformamide solvate
• Formula: C15 H15 Cl N4 O4
• Calculated formula: C15 H15 Cl N4 O4
• SMILES: Clc1cc(N(=O)=O)ccc1N=Nc1ccc(O)cc1.O=CN(C)C
• Title of publication: 4-[(2-Chloro-4-nitrophenyl)diazenyl]phenol dimethylformamide solvate
• Authors of publication: Xiu-Li You; Yan Zhang; Yong Zhang; De-Chun Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2656 - o2658
• a: 6.041 ± 0.002 Å
• b: 10.875 ± 0.004 Å
• c: 12.819 ± 0.005 Å
• α: 73.78 ± 0.02°
• β: 81.29 ± 0.03°
• γ: 82.77 ± 0.03°
• Cell volume: 796.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No