Information card for entry 2238694

Structure parameters

• Chemical name: <i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine
• Formula: C13 H11 N3 Se
• Calculated formula: C13 H11 N3 Se
• SMILES: c1ccc2c(n1)[se]c(n2)Nc1ccc(cc1)C
• Title of publication: <i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine
• Authors of publication: Wu, Zhaojun; Li, Yiqun; Zhou, Hua; Zhou, Meiyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1497
• a: 13.138 ± 0.002 Å
• b: 10.0323 ± 0.0019 Å
• c: 17.838 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2351.1 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2853
• Weighted residual factors for all reflections included in the refinement: 0.3141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No