Information card for entry 2243475

Structure parameters

• Chemical name: Ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate
• Formula: C24 H23 N3 O3 S
• Calculated formula: C24 H23 N3 O3 S
• Title of publication: Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate
• Authors of publication: Surya Prakash Rao, H.; Gunasundari, Ramalingam; Muthukumaran, Jayaraman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1209 - 1212
• a: 10.1911 ± 0.0004 Å
• b: 10.7274 ± 0.0006 Å
• c: 11.7692 ± 0.0006 Å
• α: 98.55 ± 0.005°
• β: 105.632 ± 0.004°
• γ: 111.015 ± 0.004°
• Cell volume: 1112.76 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes