Information card for entry 2232420

Structure parameters

• Chemical name: 1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)
• Formula: C16 H18 N4 S2
• Calculated formula: C16 H18 N4 S2
• SMILES: S=C(Nc1ccccc1)NCCNC(=S)Nc1ccccc1
• Title of publication: 1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)
• Authors of publication: Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2819
• a: 10.5823 ± 0.0004 Å
• b: 9.1053 ± 0.0003 Å
• c: 16.4163 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581.79 ± 0.1 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: 0.0712
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes