Information card for entry 8105913

Structure parameters

• Formula: C14 H15 N3 S
• Calculated formula: C14 H15 N3 S
• Title of publication: Crystal structure of 3-[methyl(phenyl)amino]-1-phenylthiourea, C14H15N3S
• Authors of publication: Yeo, Chien Ing; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 987 - 988
• a: 10.4801 ± 0.0001 Å
• b: 10.8132 ± 0.0001 Å
• c: 12.1341 ± 0.0001 Å
• α: 90°
• β: 107.823 ± 0.001°
• γ: 90°
• Cell volume: 1309.08 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No