Information card for entry 2209533

Structure parameters

• Chemical name: (E)-4-[(4-Chlorophenyl)diazenyl]-2-isopropylphenol
• Formula: C15 H15 Cl N2 O
• Calculated formula: C15 H15 Cl N2 O
• SMILES: Clc1ccc(/N=N/c2cc(c(O)cc2)C(C)C)cc1
• Title of publication: (<i>E</i>)-4-[(4-Chlorophenyl)diazenyl]-2-isopropylphenol
• Authors of publication: Atalay,Şehriman; Petek, Hande; Ocak Ískeleli, Nazan; Albayrak, Çiğdem; Ağar, Erbil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3092 - o3093
• a: 10.4856 ± 0.0005 Å
• b: 11.1262 ± 0.0006 Å
• c: 12.0768 ± 0.0005 Å
• α: 90°
• β: 91.585 ± 0.004°
• γ: 90°
• Cell volume: 1408.4 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0452
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes