Information card for entry 1544691

Structure parameters

• Common name: 10-Ethyl-3,7-bis[(4-methylphenyl)carbonyl]phenothiazine
• Chemical name: (10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)
• Formula: C30 H25 N O2 S
• Calculated formula: C30 H25 N O2 S
• SMILES: Cc1ccc(cc1)C(=O)c1cc2c(cc1)N(CC)c1c(cc(cc1)C(=O)c1ccc(cc1)C)S2
• Title of publication: (10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)
• Authors of publication: Hemanathan, Karunakaran; Ravivarma, Mahalingam; Satheeshkumar, Chinnadurai; Rajakumar, Perumal; Sakthi Murugesan, K.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 11
• Pages of publication: x161838
• a: 19.6758 ± 0.0008 Å
• b: 12.9382 ± 0.0005 Å
• c: 21.1306 ± 0.0009 Å
• α: 90°
• β: 117.513 ± 0.001°
• γ: 90°
• Cell volume: 4770.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0728
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes