Information card for entry 2212643

Structure parameters

• Chemical name: N,N-Diisobutyl-N'-(2-thienylcarbonyl)thiourea
• Formula: C14 H22 N2 O S2
• Calculated formula: C14 H22 N2 O S2
• Title of publication: <i>N</i>,<i>N</i>-Diisobutyl-<i>N</i>'-(2-thienylcarbonyl)thiourea
• Authors of publication: Ligia R. Gomes.; Luis M. N. B. F. Santos; Schröder, B.; Wagner, Ch.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1158 - o1159
• a: 12.072 ± 0.0006 Å
• b: 8.5169 ± 0.0007 Å
• c: 16.7544 ± 0.0018 Å
• α: 90°
• β: 109.243 ± 0.006°
• γ: 90°
• Cell volume: 1626.4 ± 0.2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No