Information card for entry 2241836

Structure parameters

• Chemical name: 2-[2-(2,5-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-2<i>H</i>-indazole
• Formula: C20 H16 Cl2 N2 O2
• Calculated formula: C20 H16 Cl2 N2 O2
• SMILES: Clc1c(COC(c2occc2)Cn2nc3c(c2)cccc3)cc(Cl)cc1
• Title of publication: Crystal structure of 2-[2-(2,5-dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-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: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1377 - 1379
• a: 7.7318 ± 0.0003 Å
• b: 9.6675 ± 0.0004 Å
• c: 12.8299 ± 0.0005 Å
• α: 76.511 ± 0.004°
• β: 76.157 ± 0.004°
• γ: 73.928 ± 0.003°
• Cell volume: 880.3 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes