Information card for entry 2004906

Structure parameters

• Chemical name: 1-Morpholinyl-3-phenylthiourea.
• Formula: C11 H14 N2 O S
• Calculated formula: C11 H14 N2 O S
• SMILES: S=C(Nc1ccccc1)N1CCOCC1
• Title of publication: <i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide
• Authors of publication: Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1285 - 1288
• a: 27.858 ± 0.005 Å
• b: 8.094 ± 0.002 Å
• c: 9.951 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2243.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.1309
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No