Information card for entry 2236643

Structure parameters

• Chemical name: Propan-2-yl <i>r</i>-4-(4-fluorophenyl)-3-hydroxy-<i>c</i>-6-methyl-2-phenyl- 4,5-dihydro-2<i>H</i>-indazole-<i>t</i>-5-carboxylate
• Formula: C24 H23 F N2 O3
• Calculated formula: C24 H23 F N2 O3
• SMILES: CC(OC(=O)[C@H]1C(=Cc2c([C@@H]1c1ccc(cc1)F)c(O)n(n2)c1ccccc1)C)C.CC(OC(=O)[C@@H]1C(=Cc2c([C@H]1c1ccc(cc1)F)c(O)n(n2)c1ccccc1)C)C
• Title of publication: Propan-2-yl <i>r</i>-4-(4-fluorophenyl)-3-hydroxy-<i>c</i>-6-methyl-2-phenyl-4,5-dihydro-2<i>H</i>-indazole-<i>t</i>-5-carboxylate
• Authors of publication: Rizwana Begum, S.; Hema, R.; Pandiarajan, K.; Balasubramanian, Sridhar; Anitha, A. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3021 - o3022
• a: 17.64 ± 0.001 Å
• b: 11.0295 ± 0.0006 Å
• c: 11.3791 ± 0.0006 Å
• α: 90°
• β: 99.133 ± 0.001°
• γ: 90°
• Cell volume: 2185.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes