Information card for entry 2219255

Structure parameters

• Chemical name: 5<i>H</i>-1-Benzothiopyrano[2,3-<i>b</i>]pyridin-5-one
• Formula: C12 H7 N O S
• Calculated formula: C12 H7 N O S
• Title of publication: 5<i>H</i>-1-Benzothiopyrano[2,3-<i>b</i>]pyridin-5-one
• Authors of publication: Khan, Muhammad Naeem; Tahir, M. Nawaz; Khan, Misbahul Ain; Khan, Islam Ullah; Arshad, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1704
• a: 7.7308 ± 0.0018 Å
• b: 3.8585 ± 0.0009 Å
• c: 15.771 ± 0.003 Å
• α: 90°
• β: 99.333 ± 0.009°
• γ: 90°
• Cell volume: 464.21 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0958
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No