Information card for entry 2213087

Structure parameters

• Chemical name: 4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
• Formula: C8 H8 N2 S
• Calculated formula: C8 H8 N2 S
• Title of publication: 4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
• Authors of publication: Eyduran, Fatih; Özyürek, Cengiz; Dilek, Nefise; Ocak Iskeleli, Nazan; Şendil, Kıvılcım
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2415 - o2417
• a: 7.6526 ± 0.0006 Å
• b: 8.4577 ± 0.0004 Å
• c: 13.7386 ± 0.0011 Å
• α: 90°
• β: 113.185 ± 0.006°
• γ: 90°
• Cell volume: 817.39 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes