Information card for entry 2218937

Structure parameters

• Chemical name: 1-(2-Furoyl)-3-(<i>o</i>-tolyl)thiourea
• Formula: C13 H12 N2 O2 S
• Calculated formula: C13 H12 N2 O2 S
• SMILES: S=C(Nc1ccccc1C)NC(=O)c1occc1
• Title of publication: 1-(2-Furoyl)-3-(<i>o</i>-tolyl)thiourea
• Authors of publication: Corrêa, Rodrigo S.; Estévez-Hernández, O.; Ellena, J.; Duque, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1414
• a: 6.0976 ± 0.0001 Å
• b: 16.6689 ± 0.0006 Å
• c: 13.1462 ± 0.0004 Å
• α: 90°
• β: 108.765 ± 0.002°
• γ: 90°
• Cell volume: 1265.16 ± 0.06 ų
• Cell temperature: 294 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 significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes