Information card for entry 2208455

Structure parameters

• Chemical name: 4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole
• Formula: C18 H19 N3 O2 S
• Calculated formula: C18 H19 N3 O2 S
• SMILES: S1C(Nc2ccccc2)=NN(C1(C)C)C(=O)c1ccc(OC)cc1
• Title of publication: 4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole
• Authors of publication: Yusof, M. Sukeri M.; Tajuddin, Nazrizawati A.; Mardi, A. Sahali; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1072 - o1074
• a: 9.4042 ± 0.0014 Å
• b: 15.603 ± 0.002 Å
• c: 23.143 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3395.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes