Information card for entry 2216429

Structure parameters

• Chemical name: <i>N</i>-Cyclohexylcarbonyl-<i>N</i>'-phenylthiourea
• Formula: C14 H18 N2 O S
• Calculated formula: C14 H18 N2 O S
• SMILES: S=C(Nc1ccccc1)NC(=O)C1CCCCC1
• Title of publication: <i>N</i>-Cyclohexylcarbonyl-<i>N</i>'-phenylthiourea
• Authors of publication: Yusof, M. Sukeri M.; Asrab, Siti 'Afifah Tunnur M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4627 - o4627
• a: 6.696 ± 0.002 Å
• b: 9.395 ± 0.003 Å
• c: 12.578 ± 0.004 Å
• α: 100.262 ± 0.005°
• β: 104.72 ± 0.005°
• γ: 110.075 ± 0.005°
• Cell volume: 687.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes