Information card for entry 2216502

Structure parameters

• Chemical name: N,N'-Di-o-tolylthiourea
• Formula: C15 H16 N2 S
• Calculated formula: C15 H16 N2 S
• SMILES: S=C(Nc1c(cccc1)C)Nc1c(cccc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Di-<i>o</i>-tolylthiourea
• Authors of publication: Kuan, Fong Sheen; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4692 - o4692
• a: 12.4391 ± 0.0006 Å
• b: 9.5274 ± 0.0004 Å
• c: 23.5683 ± 0.0011 Å
• α: 90°
• β: 93.347 ± 0.001°
• γ: 90°
• Cell volume: 2788.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes