Information card for entry 2212066

Structure parameters

• Chemical name: N-(p-Methoxyphenylsulfanyl)phthalimide
• Formula: C15 H11 N O3 S
• Calculated formula: C15 H11 N O3 S
• SMILES: C1(=O)c2ccccc2C(=O)N1Sc1ccc(cc1)OC
• Title of publication: <i>N</i>-(<i>p</i>-Methoxyphenylsulfanyl)phthalimide
• Authors of publication: Yazıcı, Serap; Türköz, Nalan; Kütük, Halil; Şenel, İsmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o813 - o814
• a: 8.26 ± 0.0009 Å
• b: 8.4479 ± 0.001 Å
• c: 11.4776 ± 0.0013 Å
• α: 109.586 ± 0.009°
• β: 93.093 ± 0.009°
• γ: 112.998 ± 0.009°
• Cell volume: 678.61 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes