Information card for entry 2219192

Structure parameters

• Chemical name: N-(2-Furylcarbonyl)piperidine-1-carbothioamide
• Formula: C11 H14 N2 O2 S
• Calculated formula: C11 H14 N2 O2 S
• SMILES: C(=O)(c1ccco1)NC(=S)N1CCCCC1
• Title of publication: <i>N</i>-(2-Furylcarbonyl)piperidine-1-carbothioamide
• Authors of publication: Duque, J.; Estévez-Hernández, O.; Mascarenhas, Yvonne; Ellena, J.; Corrêa, Rodrigo S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1457
• a: 31.6377 ± 0.0015 Å
• b: 8.6787 ± 0.0004 Å
• c: 8.5308 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342.34 ± 0.18 ų
• Cell temperature: 294 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: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes