Information card for entry 2222562

Structure parameters

• Chemical name: 10-Acetyl-10<i>H</i>-phenothiazine 5-oxide
• Formula: C14 H11 N O2 S
• Calculated formula: C14 H11 N O2 S
• SMILES: CC(=O)N1c2ccccc2S(=O)c2c1cccc2
• Title of publication: 10-Acetyl-10<i>H</i>-phenothiazine 5-oxide
• Authors of publication: Wang, Qiang; Yang, Lei; Xu, Zhouqing; Sun, Yanchun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1978
• a: 8.1244 ± 0.0001 Å
• b: 14.1787 ± 0.0002 Å
• c: 10.7576 ± 0.0001 Å
• α: 90°
• β: 100.963 ± 0.001°
• γ: 90°
• Cell volume: 1216.59 ± 0.03 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes