Information card for entry 2224425

Structure parameters

• Chemical name: 3-amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile
• Formula: C10 H9 N3 S
• Calculated formula: C10 H9 N3 S
• SMILES: s1c(c(N)c2c(cc(nc12)C)C)C#N
• Title of publication: 3-Amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile
• Authors of publication: Zeng, Xiu-Xiu; Ye, Ting-Hong; Lun, Dong-Wen; Yu, Luo-Ting; Yang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3138
• a: 14.562 ± 0.003 Å
• b: 8.1252 ± 0.0016 Å
• c: 16.211 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.1 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes