Information card for entry 7223875

Structure parameters

• Chemical name: HB-UC-2
• Formula: C19 H19 N5 O4 S
• Calculated formula: C19 H19 N5 O4 S
• SMILES: S(=O)(=O)(N)c1ccc(Nc2ncnc(Nc3ccccc3)c2C(=O)OCC)cc1
• Title of publication: Design and Synthesis of Potent N-Phenylpyrimidine Derivatives for the Treatment of Skin Cancer
• Authors of publication: Chaube, Udit J.; Vyas, Vivek Kumar; BHATT, HARDIK GIRISHKUMAR
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.3517 ± 0.001 Å
• b: 12.832 ± 0.003 Å
• c: 13.987 ± 0.003 Å
• α: 84.942 ± 0.006°
• β: 89.208 ± 0.006°
• γ: 84.987 ± 0.006°
• Cell volume: 953.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.4083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No