Information card for entry 2239260

Structure parameters

• Chemical name: 2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2<i>H</i>-indazole
• Formula: C22 H18 Cl2 N2 O
• Calculated formula: C22 H18 Cl2 N2 O
• SMILES: Clc1c(COC(c2ccccc2)Cn2nc3ccccc3c2)c(Cl)ccc1
• Title of publication: 2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2<i>H</i>-indazole
• 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: o410
• a: 15.2399 ± 0.0004 Å
• b: 5.3814 ± 0.0003 Å
• c: 23.0461 ± 0.0006 Å
• α: 90°
• β: 90.871 ± 0.003°
• γ: 90°
• Cell volume: 1889.84 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes