Information card for entry 8106347

Structure parameters

• Formula: C24 H30 N4 O6 S2
• Calculated formula: C24 H30 N4 O6 S2
• SMILES: S=C1N(C(=O)C(C(c2cc(O)c(OC)cc2)C2C(=O)N(C(=S)N(C=2O)CC)CC)=C(O)N1CC)CC
• Title of publication: Crystal structure of 5,5′-((3-hydroxy-4-methoxyphenyl)methylene)bis(1,3-diethyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), C24H30N4O6S2
• Authors of publication: Altowyan, Mezna saleh; Ali, M.; AlRuqi, Obaid S.; Al-Majid, Abdullah Mohammed; Barakat, Assem
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 919 - 921
• a: 9.2557 ± 0.0004 Å
• b: 10.2606 ± 0.0005 Å
• c: 14.0972 ± 0.0007 Å
• α: 71.949 ± 0.002°
• β: 89.305 ± 0.002°
• γ: 86.061 ± 0.002°
• Cell volume: 1269.84 ± 0.11 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: 0.117
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No