Information card for entry 7242228

Structure parameters

• Formula: C16 H20 N2 O6
• Calculated formula: C16 H20 N2 O6
• SMILES: O(C(=O)C1=C(NC(=O)NC1c1c(OC)cc(OC)cc1OC)C)C
• Title of publication: Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products
• Authors of publication: Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 6312 - 6329
• a: 11.6354 ± 0.0005 Å
• b: 14.5969 ± 0.0005 Å
• c: 9.3401 ± 0.0003 Å
• α: 90°
• β: 98.173 ± 0.002°
• γ: 90°
• Cell volume: 1570.22 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No