Information card for entry 2219316

Structure parameters

• Chemical name: 1-(<i>o</i>-Tolyl)thiourea
• Formula: C8 H10 N2 S
• Calculated formula: C8 H10 N2 S
• SMILES: C(=S)(Nc1c(cccc1)C)N
• Title of publication: 1-(<i>o</i>-Tolyl)thiourea
• Authors of publication: Corrêa, Rodrigo S.; Ribeiro, Leandro; Ellena, Javier; Estévez-Hernández, Osvaldo; Duque, Julio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1670 - o1671
• a: 15.1323 ± 0.0003 Å
• b: 7.7965 ± 0.0002 Å
• c: 15.3222 ± 0.0004 Å
• α: 90°
• β: 90.828 ± 0.002°
• γ: 90°
• Cell volume: 1807.51 ± 0.08 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes