Information card for entry 2215858

Structure parameters

• Chemical name: N-(2-Furoyl)-N'-(6-methyl-2-pyridyl)thiourea
• Formula: C12 H11 N3 O2 S
• Calculated formula: C12 H11 N3 O2 S
• SMILES: S=C(NC(=O)c1occc1)Nc1nc(ccc1)C
• Title of publication: <i>N</i>-(2-Furoyl)-<i>N</i>'-(6-methyl-2-pyridyl)thiourea
• Authors of publication: Hassan, N. Norainun N.; Kadir, Maisara A.; Yusof, M. Sukeri M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4224 - o4224
• a: 7.3189 ± 0.0016 Å
• b: 18.187 ± 0.004 Å
• c: 9.534 ± 0.002 Å
• α: 90°
• β: 108.482 ± 0.004°
• γ: 90°
• Cell volume: 1203.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes