Information card for entry 2232046

Structure parameters

• Common name: 1,2-Bis(N'-4-methylbenzoylthioureido)benzene
• Chemical name: 1-(4-Methylbenzoyl)-3-{2-[3-(4-methylbenzoyl)thioureido]phenyl}thiourea
• Formula: C24 H22 N4 O2 S2
• Calculated formula: C24 H22 N4 O2 S2
• SMILES: S=C(Nc1ccccc1NC(=S)NC(=O)c1ccc(cc1)C)NC(=O)c1ccc(cc1)C
• Title of publication: 1-(4-Methylbenzoyl)-3-{2-[3-(4-methylbenzoyl)thioureido]phenyl}thiourea
• Authors of publication: Osman, Uwaisulqarni M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2583
• a: 7.1565 ± 0.0018 Å
• b: 11.394 ± 0.003 Å
• c: 14.332 ± 0.004 Å
• α: 96.414 ± 0.005°
• β: 99.066 ± 0.006°
• γ: 94.085 ± 0.006°
• Cell volume: 1142.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1426
• 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