Information card for entry 7243852

Structure parameters

• Formula: C15 H18 N2 O2 S
• Calculated formula: C15 H18 N2 O2 S
• SMILES: S=C1NC(=C(C(N1)c1ccc(C)cc1)C(=O)OCC)C
• Title of publication: Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives
• Authors of publication: Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 57
• Pages of publication: 35737 - 35753
• a: 7.3603 ± 0.001 Å
• b: 9.4648 ± 0.0012 Å
• c: 12.2076 ± 0.0016 Å
• α: 74.216 ± 0.004°
• β: 88.729 ± 0.004°
• γ: 69.819 ± 0.004°
• Cell volume: 765.7 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0487
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No