Information card for entry 2203413

Structure parameters

• Common name: N-benzyl-2-methyl-3-thiofuramide
• Chemical name: N-benzyl-2-methyl-3-furanthiocarboxanilide
• Formula: C13 H13 N O S
• Calculated formula: C13 H13 N O S
• SMILES: S=C(NCc1ccccc1)c1ccoc1C
• Title of publication: <i>N</i>-Benzyl-2-methylfuran-3-thiocarboxanilide
• Authors of publication: Pavlović, Gordana; Tralić-Kulenović, Vesna; Popović, Zora
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o637 - o639
• a: 5.7601 ± 0.0011 Å
• b: 8.962 ± 0.0019 Å
• c: 22.983 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1186.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes