Information card for entry 2229467

Structure parameters

• Chemical name: 4-[(2-Chloro-4-nitrophenyl)diazenyl]-<i>N</i>,<i>N</i>-diethylaniline
• Formula: C16 H17 Cl N4 O2
• Calculated formula: C16 H17 Cl N4 O2
• SMILES: Clc1c(N=Nc2ccc(cc2)N(CC)CC)ccc(N(=O)=O)c1
• Title of publication: 4-[(2-Chloro-4-nitrophenyl)diazenyl]-<i>N</i>,<i>N</i>-diethylaniline
• Authors of publication: Gong, Liangyu; Lu, Lihua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o662
• a: 25.745 ± 0.002 Å
• b: 7.5774 ± 0.0006 Å
• c: 18.8628 ± 0.0015 Å
• α: 90°
• β: 121.795 ± 0.005°
• γ: 90°
• Cell volume: 3127.6 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes