Information card for entry 2233895

Structure parameters

• Chemical name: 5,6-Dimethyl-4-(thiophen-2-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-3-amine
• Formula: C12 H12 N4 S
• Calculated formula: C12 H12 N4 S
• Title of publication: 5,6-Dimethyl-4-(thiophen-2-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-3-amine
• Authors of publication: Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o612 - o613
• a: 10.0688 ± 0.0002 Å
• b: 8.0116 ± 0.0002 Å
• c: 15.7479 ± 0.0003 Å
• α: 90°
• β: 106.809 ± 0.001°
• γ: 90°
• Cell volume: 1216.06 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes