Information card for entry 2207593

Structure parameters

• Chemical name: 3-Methyl-4-(4-nitrophenyl)-1-phenyl-1,7-dihydro-6H- pyrazolo[3,4-b]thiazolo[5,4-e]pyridine-6- thione‒dimethylformamide (1/1)
• Formula: C23 H20 N6 O3 S2
• Calculated formula: C23 H20 N6 O3 S2
• Title of publication: 3-Methyl-4-(4-nitrophenyl)-1-phenyl-1,7-dihydro-6<i>H</i>-pyrazolo[3,4-<i>b</i>]thiazolo[5,4-<i>e</i>]pyridine-6-thione‒dimethylformamide (1/1)
• Authors of publication: Delgado, Paula; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o3998 - o4000
• a: 9.3023 ± 0.0002 Å
• b: 25.5447 ± 0.0007 Å
• c: 10.3794 ± 0.0002 Å
• α: 90°
• β: 113.766 ± 0.0013°
• γ: 90°
• Cell volume: 2257.25 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes