Information card for entry 2212413

Structure parameters

• Chemical name: N,N'-bis(2-phenylethyl)thiourea
• Formula: C17 H20 N2 S
• Calculated formula: C17 H20 N2 S
• SMILES: S=C(NCCc1ccccc1)NCCc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-phenylethyl)thiourea
• Authors of publication: Sadiq-ur-Rehman; Ali, Saqib; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o640 - o641
• a: 9.74 ± 0.002 Å
• b: 9.173 ± 0.002 Å
• c: 35.354 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3158.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes