Information card for entry 2218359

Structure parameters

• Chemical name: 1-(2-Furoyl)-3-(1-naphthyl)thiourea
• Formula: C16 H12 N2 O2 S
• Calculated formula: C16 H12 N2 O2 S
• SMILES: S=C(NC(=O)c1occc1)Nc1cccc2c1cccc2
• Title of publication: 1-(2-Furoyl)-3-(1-naphthyl)thiourea
• Authors of publication: Duque, J.; Estevez-Hernandez, Osvaldo; Reguera, Edilso; Corrêa, Rodrigo S.; Gutierrez Maria, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1068
• a: 9.402 ± 0.002 Å
• b: 19.082 ± 0.004 Å
• c: 7.88 ± 0.002 Å
• α: 90°
• β: 94.94 ± 0.01°
• γ: 90°
• Cell volume: 1408.5 ± 0.6 ų
• Cell temperature: 294 ± 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: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes