Information card for entry 2208009

Structure parameters

• Chemical name: 2-Methoxy-N-[2-(3-thienyl)-1,2,3,4-tetrahydro-1-naphthyl)acetamide
• Formula: C17 H19 N O2 S
• Calculated formula: C17 H19 N O2 S
• SMILES: s1cc(cc1)[C@@H]1[C@@H](NC(=O)COC)c2ccccc2CC1
• Title of publication: 2-Methoxy-<i>N</i>-[2-(3-thienyl)-1,2,3,4-tetrahydro-1-naphthyl]acetamide
• Authors of publication: Dockendorff, Chris; Lautens, Mark; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o639 - o641
• a: 10.5344 ± 0.0003 Å
• b: 9.7241 ± 0.0004 Å
• c: 15.1999 ± 0.0006 Å
• α: 90°
• β: 99.594 ± 0.002°
• γ: 90°
• Cell volume: 1535.26 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes