Information card for entry 2220986

Structure parameters

• Chemical name: 1-benzyl-3-furoyl-1-phenylthiourea
• Formula: C19 H16 N2 O2 S
• Calculated formula: C19 H16 N2 O2 S
• SMILES: C(=O)(c1ccco1)NC(=S)N(c1ccccc1)Cc1ccccc1
• Title of publication: Redetermination of 1-benzyl-3-furoyl-1-phenylthiourea
• Authors of publication: Estévez-Hernández, O.; Corrêa, Rodrigo S.; Ellena, J.; Duque, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o648
• a: 12.7737 ± 0.0003 Å
• b: 8.8047 ± 0.0002 Å
• c: 31.2345 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3512.9 ± 0.14 ų
• Cell temperature: 294 ± 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes