Information card for entry 2229113

Structure parameters

• Chemical name: 1-(10<i>H</i>-Phenothiazin-2-yl)ethanone
• Formula: C14 H11 N O S
• Calculated formula: C14 H11 N O S
• SMILES: S1c2c(Nc3c1cccc3)cc(C(=O)C)cc2
• Title of publication: 1-(10<i>H</i>-Phenothiazin-2-yl)ethanone
• Authors of publication: Jasinski, Jerry P.; Pek, Albert E.; Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o430 - o431
• a: 14.3445 ± 0.0018 Å
• b: 5.5425 ± 0.0007 Å
• c: 15.694 ± 0.002 Å
• α: 90°
• β: 114.494 ± 0.002°
• γ: 90°
• Cell volume: 1135.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes