Information card for entry 2242635

Structure parameters

• Chemical name: (<i>E</i>)-3-[(2,6-Dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole
• Formula: C16 H16 N4
• Calculated formula: C16 H16 N4
• SMILES: [nH]1nc(/N=N/c2c(cccc2C)C)c2c1c(ccc2)C
• Title of publication: Crystal structure of (<i>E</i>)-3-[(2,6-dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole
• Authors of publication: Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1421 - 1423
• a: 11.052 ± 0.008 Å
• b: 4.565 ± 0.004 Å
• c: 13.541 ± 0.01 Å
• α: 90°
• β: 97.997 ± 0.011°
• γ: 90°
• Cell volume: 676.5 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No