Information card for entry 2218284

Structure parameters

• Chemical name: 1,6,6-Trimethyl-6<i>H</i>-chromeno[6,7-<i>d</i>]thiazol-2(3<i>H</i>)-one
• Formula: C13 H13 N O2 S
• Calculated formula: C13 H13 N O2 S
• SMILES: S1C(=O)N(C)c2cc3C=CC(Oc3cc12)(C)C
• Title of publication: 1,6,6-Trimethyl-1<i>H</i>-chromeno[6,7-<i>d</i>]thiazol-2(6<i>H</i>)-one
• Authors of publication: Tang, Jian; Wang, Yang; Zhang, Bei-Na; Xia, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o891
• a: 7.376 ± 0.002 Å
• b: 8.395 ± 0.002 Å
• c: 10.536 ± 0.002 Å
• α: 106.13 ± 0.02°
• β: 98.16 ± 0.02°
• γ: 94.08 ± 0.02°
• Cell volume: 616.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes