Information card for entry 1543984

Structure parameters

• Chemical name: 10-Methyl-10<i>H</i>-phenothiazine
• Formula: C13 H11 N S
• Calculated formula: C13 H11 N S
• SMILES: S1c2c(N(c3c1cccc3)C)cccc2
• Title of publication: 10-Methyl-10<i>H</i>-phenothiazine
• Authors of publication: Malikireddy, Parvathi; Siddan, Gouthaman; Madurai, Sugunalakshmi; Chandramouleeswaran, Suvasini; Srinivasakannan, Lakshmi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161299
• a: 11.6245 ± 0.0007 Å
• b: 6.913 ± 0.0004 Å
• c: 13.7792 ± 0.001 Å
• α: 90°
• β: 106.591 ± 0.002°
• γ: 90°
• Cell volume: 1061.2 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes