Information card for entry 2200561

Structure parameters

• Chemical name: N-methyl-2-methyl-3-furanthiocarboxanilyd
• Formula: C13 H13 N O S
• Calculated formula: C13 H13 N O S
• SMILES: c1coc(C)c1C(=S)N(C)c1ccccc1
• Title of publication: <i>N</i>,2-Dimethyl-3-furanthiocarboxanilide
• Authors of publication: Popović, Jasminka; Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o893 - o894
• a: 9.577 ± 0.003 Å
• b: 16.039 ± 0.003 Å
• c: 16.127 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2477.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes