Information card for entry 7243851

Structure parameters

• Formula: C14 H15 Cl N2 O2 S
• Calculated formula: C14 H15 Cl N2 O2 S
• SMILES: S=C1NC(c2cccc(Cl)c2)C(=C(N1)C)C(=O)OCC
• 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: 7.3066 ± 0.0006 Å
• b: 10.4657 ± 0.0008 Å
• c: 10.6788 ± 0.0009 Å
• α: 107.568 ± 0.003°
• β: 90.583 ± 0.003°
• γ: 107.829 ± 0.002°
• Cell volume: 736.37 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No