Information card for entry 2227402

Structure parameters

• Chemical name: 10-(Prop-2-ynyl)-10<i>H</i>-phenothiazine
• Formula: C15 H11 N S
• Calculated formula: C15 H11 N S
• SMILES: S1c2c(cccc2)N(c2c1cccc2)CC#C
• Title of publication: 10-(Prop-2-ynyl)-10<i>H</i>-phenothiazine
• Authors of publication: Aouine, Younas; Alami, Anouar; El Hallaoui, Abdelilah; Elachqar, Abdelrhani; Zouihri, Hafid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2830
• a: 10.5306 ± 0.001 Å
• b: 7.2981 ± 0.0006 Å
• c: 15.6782 ± 0.0014 Å
• α: 90°
• β: 96.023 ± 0.003°
• γ: 90°
• Cell volume: 1198.27 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes