Information card for entry 2218578

Structure parameters

• Chemical name: 1-Furfuryl-3-furoylthiourea
• Formula: C11 H10 N2 O3 S
• Calculated formula: C11 H10 N2 O3 S
• SMILES: S=C(NCc1occc1)NC(=O)c1occc1
• Title of publication: 1-Furfuryl-3-furoylthiourea
• Authors of publication: Estévez-Hernández, O.; Duque, J.; Ellena, J.; Corrêa, Rodrigo S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1157
• a: 4.5999 ± 0.0002 Å
• b: 11.3792 ± 0.0006 Å
• c: 12.0556 ± 0.0005 Å
• α: 68.351 ± 0.003°
• β: 83.187 ± 0.004°
• γ: 89.367 ± 0.003°
• Cell volume: 582.01 ± 0.05 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes