Information card for entry 2202281

Structure parameters

• Common name: 2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)-4-methylphenol
• Chemical name: 2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)-4-methylphenol
• Formula: C19 H24 N4 O
• Calculated formula: C19 H24 N4 O
• SMILES: Oc1c(Cn2nc(C)cc2C)cc(cc1Cn1nc(cc1C)C)C
• Title of publication: 2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)-4-methylphenol
• Authors of publication: Yin, Caixia; Huo, Fangjun; Gao, Fei; Guo, Jianping; Yang, Pin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1740 - o1741
• a: 9.508 ± 0.003 Å
• b: 18.747 ± 0.006 Å
• c: 10.116 ± 0.003 Å
• α: 90°
• β: 105.085 ± 0.005°
• γ: 90°
• Cell volume: 1741 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1496
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes