Information card for entry 2230652

Structure parameters

• Chemical name: 3-(2-Aminophenylsulfanyl)-1,3-diphenylpropan-1-one
• Formula: C21 H19 N O S
• Calculated formula: C21 H19 N O S
• SMILES: S(C(CC(=O)c1ccccc1)c1ccccc1)c1c(N)cccc1
• Title of publication: 3-(2-Aminophenylsulfanyl)-1,3-diphenylpropan-1-one
• Authors of publication: Yaeghoobi, Marzieh; Khaledi, Hamid; Abdullah, Zanariah; Abd.Rahman, Noorsaadah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1693
• a: 11.1741 ± 0.0016 Å
• b: 5.6788 ± 0.0008 Å
• c: 27.308 ± 0.004 Å
• α: 90°
• β: 95.266 ± 0.002°
• γ: 90°
• Cell volume: 1725.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1233
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes