Information card for entry 2237291

Structure parameters

• Chemical name: 2-(2<i>H</i>-Indazol-2-yl)-1-phenylethanone
• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O=C(c1ccccc1)Cn1nc2c(c1)cccc2
• Title of publication: 2-(2<i>H</i>-Indazol-2-yl)-1-phenylethanone
• Authors of publication: Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o184
• a: 9.4408 ± 0.0003 Å
• b: 17.9636 ± 0.0005 Å
• c: 13.9415 ± 0.0004 Å
• α: 90°
• β: 99.247 ± 0.004°
• γ: 90°
• Cell volume: 2333.62 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes