Information card for entry 2217389

Structure parameters

• Chemical name: <i>N</i>-(Biphenyl-4-ylcarbonyl)-<i>N</i>'-(2-pyridylmethyl)thiourea
• Formula: C20 H17 N3 O S
• Calculated formula: C20 H17 N3 O S
• SMILES: S=C(NC(=O)c1ccc(cc1)c1ccccc1)NCc1ncccc1
• Title of publication: <i>N</i>-(Biphenyl-4-ylcarbonyl)-<i>N</i>'-(2-pyridylmethyl)thiourea
• Authors of publication: Yamin, Bohari M.; Deris, Hidayah; Malik, Zaw Myint; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o360 - o360
• a: 7.467 ± 0.002 Å
• b: 9.364 ± 0.002 Å
• c: 13.184 ± 0.003 Å
• α: 101.529 ± 0.005°
• β: 99.113 ± 0.004°
• γ: 101.543 ± 0.005°
• Cell volume: 865.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes