Information card for entry 2211669

Structure parameters

• Chemical name: (E)-4-(p-Tolyldiazenyl}phenol
• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• SMILES: Oc1ccc(/N=N/c2ccc(cc2)C)cc1
• Title of publication: (<i>E</i>)-4-(<i>p</i>-Tolyldiazenyl)phenol
• Authors of publication: Petek, Hande; Erşahi̇n, Ferda; Albayrak, Çi̇ğdem; Ağar, Erbi̇l; Şenel, İsmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5874 - o5875
• a: 5.614 ± 0.0005 Å
• b: 17.8226 ± 0.0014 Å
• c: 11.0657 ± 0.001 Å
• α: 90°
• β: 93.72 ± 0.007°
• γ: 90°
• Cell volume: 1104.86 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes