Information card for entry 7056873

Structure parameters

• Chemical name: Sup
• Formula: C18 H23 Br N4 O2
• Calculated formula: C18 H23 Br N4 O2
• SMILES: Brc1c(nc(nc1N1CCOCC1)NCCc1cc(OC)ccc1)C
• Title of publication: Exploring the potential of newly synthesized 4-methyl-6-morpholino-pyrimidine derivatives as antiproliferative agents
• Authors of publication: Gaonkar, Supreet; Savanur, Mohammed Azharuddin; Sunagar, Manjunath G.; Puthusseri, Bijesh; Deshapande, Narahari; Nadaf, Afra A.; Khazi, Imtiyaz Ahmed M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 2790
• a: 18.857 ± 0.0006 Å
• b: 4.9822 ± 0.0001 Å
• c: 21.8645 ± 0.0007 Å
• α: 90°
• β: 115.277 ± 0.001°
• γ: 90°
• Cell volume: 1857.48 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No