Information card for entry 2211752

Structure parameters

• Chemical name: 1-[(Phenyl)(p-tolylimino)methyl]-3-(o-tolyl)thiourea
• Formula: C22 H21 N3 S
• Calculated formula: C22 H21 N3 S
• SMILES: S=C(Nc1c(cccc1)C)NC(=N/c1ccc(cc1)C)/c1ccccc1
• Title of publication: 1-[(Phenyl)(<i>p</i>-tolylimino)methyl]-3-(<i>o</i>-tolyl)thiourea
• Authors of publication: Hong-Guang Song; Zhi-Yong Xing; Wen-Qin Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o262 - o263
• a: 10.085 ± 0.003 Å
• b: 10.288 ± 0.003 Å
• c: 10.301 ± 0.003 Å
• α: 76.521 ± 0.013°
• β: 65.832 ± 0.011°
• γ: 88.294 ± 0.016°
• Cell volume: 945.6 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes