Information card for entry 2235061

Structure parameters

• Chemical name: 2-[(2-Aminophenyl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide
• Formula: C15 H16 N2 O2 S
• Calculated formula: C15 H16 N2 O2 S
• SMILES: S(CC(=O)Nc1ccc(OC)cc1)c1c(N)cccc1
• Title of publication: 2-[(2-Aminophenyl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide
• Authors of publication: Murtaza, Shahzad; Tahir, M. Nawaz; Tariq, Javaria; Abbas, Aadil; Kausar, Naghmana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1968
• a: 12.9935 ± 0.0016 Å
• b: 4.799 ± 0.0004 Å
• c: 23.433 ± 0.003 Å
• α: 90°
• β: 95.506 ± 0.007°
• γ: 90°
• Cell volume: 1454.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes