Information card for entry 2010739

Structure parameters

• Chemical name: 4-methyl-1,4-thiazino[2,3-c;6,5-c']diquinoline
• Formula: C19 H13 N3 S
• Calculated formula: C19 H13 N3 S
• SMILES: S1c2cnc3c(c2N(c2c1cnc1c2cccc1)C)cccc3
• Title of publication: Azinyl sulfides. L. 14-Methyl-1,4-thiazino[2,3-<i>c</i>;6,5-<i>c</i>']diquinoline
• Authors of publication: Pluta, Krystian; Suwińska, Kinga
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 374 - 375
• a: 11.848 ± 0.003 Å
• b: 11.015 ± 0.004 Å
• c: 12.313 ± 0.004 Å
• α: 90°
• β: 109.01 ± 0.03°
• γ: 90°
• Cell volume: 1519.3 ± 0.9 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: 0.076
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No