Information card for entry 2221462

Structure parameters

• Chemical name: <i>N</i>-(2-Furoyl)-<i>N</i>'-(2-pyridyl)thiourea
• Formula: C11 H9 N3 O2 S
• Calculated formula: C11 H9 N3 O2 S
• SMILES: S=C(NC(=O)c1ccco1)Nc1ccccn1
• Title of publication: <i>N</i>-(2-Furoyl)-<i>N</i>'-(2-pyridyl)thiourea
• Authors of publication: Estévez-Hernández, O.; Duque, J.; Pérez, H.; Santos Jr, S.; Mascarenhas, Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o929 - o930
• a: 6.951 ± 0.0001 Å
• b: 15.7 ± 0.0004 Å
• c: 20.27 ± 0.0006 Å
• α: 90°
• β: 90.284 ± 0.002°
• γ: 90°
• Cell volume: 2212.05 ± 0.09 ų
• Cell temperature: 150 ± 2 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: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes