Information card for entry 2206070

Structure parameters

• Chemical name: (E)-4-[(4-Hydroxyphenyl)diazenyl]benzaldehyde
• Formula: C13 H10 N2 O2
• Calculated formula: C13 H10 N2 O2
• SMILES: Oc1ccc(/N=N/c2ccc(C=O)cc2)cc1
• Title of publication: (<i>E</i>)-4-[(4-Hydroxyphenyl)diazenyl]benzaldehyde
• Authors of publication: Liu, Xin-Gang; Feng, Ya-Qing; Meng, Xiang-Qi; Liang, Zu-Pei; Yang, Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1694 - o1696
• a: 6.405 ± 0.002 Å
• b: 25.82 ± 0.009 Å
• c: 7.197 ± 0.002 Å
• α: 90°
• β: 114.14 ± 0.006°
• γ: 90°
• Cell volume: 1086.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.119
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes