Information card for entry 7245719

Structure parameters

• Chemical name: 5-(4-bromophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one
• Formula: C21 H22 Br N3 O3
• Calculated formula: C21 H22 Br N3 O3
• Title of publication: Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones
• Authors of publication: Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 30404 - 30415
• a: 6.068 ± 0.0002 Å
• b: 13.0347 ± 0.0005 Å
• c: 13.5866 ± 0.0005 Å
• α: 103.302 ± 0.003°
• β: 95.6327 ± 0.0018°
• γ: 103.29 ± 0.0019°
• Cell volume: 1004.76 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No