Information card for entry 2221572

Structure parameters

• Chemical name: 2-(Benzo[<i>d</i>]thiazol-2-ylsulfanyl)-<i>N</i>-(6-methyl-2-pyridyl)acetamide
• Formula: C15 H13 N3 O S2
• Calculated formula: C15 H13 N3 O S2
• SMILES: S(CC(=O)Nc1nc(ccc1)C)c1sc2c(n1)cccc2
• Title of publication: 2-(Benzo[<i>d</i>]thiazol-2-ylsulfanyl)-<i>N</i>-(6-methyl-2-pyridyl)acetamide
• Authors of publication: Zhao, Bing; Wang, Hui; Li, Qiang; Gao, Yan; Liang, Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o958
• a: 8.1919 ± 0.0016 Å
• b: 9.0818 ± 0.0018 Å
• c: 11.107 ± 0.002 Å
• α: 74.78 ± 0.03°
• β: 89.55 ± 0.03°
• γ: 69.34 ± 0.03°
• Cell volume: 742.8 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes