Information card for entry 7249048

Structure parameters

• Common name: 8d
• Chemical name: 3,6-Dibromo-2-(4-methoxyphenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5(8H)-one
• Formula: C17 H17 Br2 N3 O2
• Calculated formula: C17 H17 Br2 N3 O2
• Title of publication: Microwave-assisted synthesis and functionalization of 2-arylimidazo[1,2-a]pyrimidin-5(8H)-ones
• Authors of publication: Camargo, Delascar; Cifuentes, Carlos; Castillo, Juan-Carlos; Portilla, Jaime
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 31
• Pages of publication: 22368 - 22373
• a: 10.2911 ± 0.0012 Å
• b: 10.3975 ± 0.0013 Å
• c: 16.635 ± 0.002 Å
• α: 94.274 ± 0.004°
• β: 93.026 ± 0.004°
• γ: 110.473 ± 0.003°
• Cell volume: 1657 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No