Information card for entry 7060450

Structure parameters

• Formula: C5.5 H6.25 N O S0.5
• Calculated formula: C5.5 H6.25 N O S0.5
• Title of publication: Aiding the versatility of simple ammonium ionic liquids by the synthesis of bioactive 1,2,3,4-tetrahydropyrimidine, 2-aminothiazole and quinazolinone derivatives
• Authors of publication: Kakati, Praachi; Singh, Preeti; Yadav, Priyanka; Awasthi, Satish Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6724 - 6738
• a: 7.2836 ± 0.0004 Å
• b: 12.247 ± 0.0007 Å
• c: 13.7125 ± 0.0008 Å
• α: 75.781 ± 0.005°
• β: 74.928 ± 0.005°
• γ: 89.897 ± 0.005°
• Cell volume: 1142.4 ± 0.12 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: 0.0766
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No