Information card for entry 2242512

Structure parameters

• Chemical name: 2-{5-[2-(2-Hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate
• Formula: C18 H19 N3 O3
• Calculated formula: C18 H19 N3 O3
• SMILES: Oc1c(/N=N/c2n(c(cc2)c2c(O)cccc2)C)cccc1.OC
• Title of publication: Crystal structure of 2-{5-[2-(2-hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate
• Authors of publication: Yang, Guiwen; Feng, Huixiao; Yin, Zhenming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 871 - 873
• a: 7.1597 ± 0.0011 Å
• b: 9.8762 ± 0.0016 Å
• c: 12.243 ± 0.002 Å
• α: 110.426 ± 0.003°
• β: 94.051 ± 0.003°
• γ: 93.378 ± 0.003°
• Cell volume: 806 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes