Information card for entry 2233567

Structure parameters

• Chemical name: (<i>E</i>)-3,5-Dimethyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolyldiazenyl)- 1<i>H</i>-pyrazole
• Formula: C19 H20 N4
• Calculated formula: C19 H20 N4
• SMILES: Cc1ccc(cc1)n1c(C)c(c(C)n1)/N=N/c1ccc(C)cc1
• Title of publication: (<i>E</i>)-3,5-Dimethyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolyldiazenyl)-1<i>H</i>-pyrazole
• Authors of publication: Bustos, Carlos; Pérez-Cerda, Marcia; Alvarez-Thon, Luis; Barrales-Salcedo, Enrique; Garland, Maria Teresa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o353 - o354
• a: 9.432 ± 0.0008 Å
• b: 19.1552 ± 0.0017 Å
• c: 18.4511 ± 0.0016 Å
• α: 90°
• β: 101.931 ± 0.001°
• γ: 90°
• Cell volume: 3261.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes