Information card for entry 2236871

Structure parameters

• Chemical name: 1-(10<i>H</i>-phenothiazin-10-yl)ethanone
• Formula: C14 H11 N O S
• Calculated formula: C14 H11 N O S
• SMILES: S1c2c(N(c3c1cccc3)C(=O)C)cccc2
• Title of publication: 1-(10<i>H</i>-phenothiazin-10-yl)ethanone
• Authors of publication: Tokunaga, Eri; Okuno, Tsunehisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3369
• a: 21.435 ± 0.006 Å
• b: 8.897 ± 0.003 Å
• c: 12.738 ± 0.004 Å
• α: 90°
• β: 111.753 ± 0.003°
• γ: 90°
• Cell volume: 2256.2 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes