Information card for entry 2227656

Structure parameters

• Chemical name: 2-(4-Methylphenyl)-2<i>H</i>-indazole
• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• SMILES: n1n(cc2ccccc12)c1ccc(cc1)C
• Title of publication: 2-(4-Methylphenyl)-2<i>H</i>-indazole
• Authors of publication: Zhou, Xingqin; Qin, Xiaofen; Zhang, Jiankang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2732
• a: 12.539 ± 0.004 Å
• b: 6.029 ± 0.002 Å
• c: 14.401 ± 0.005 Å
• α: 90°
• β: 93.636 ± 0.005°
• γ: 90°
• Cell volume: 1086.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes