Information card for entry 2239199

Structure parameters

• Chemical name: 1-(Furan-2-yl)-2-(2<i>H</i>-indazol-2-yl)ethanone
• Formula: C13 H10 N2 O2
• Calculated formula: C13 H10 N2 O2
• SMILES: O=C(c1ccco1)Cn1cc2c(n1)cccc2
• Title of publication: 1-(Furan-2-yl)-2-(2<i>H</i>-indazol-2-yl)ethanone
• 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: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o505
• a: 9.2899 ± 0.0003 Å
• b: 10.6863 ± 0.0004 Å
• c: 11.7826 ± 0.0005 Å
• α: 77.046 ± 0.003°
• β: 70.78 ± 0.003°
• γ: 88.93 ± 0.004°
• Cell volume: 1074.47 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes