Information card for entry 7242231

Structure parameters

• Formula: C16 H19 N2 O6.5
• Calculated formula: C16 H19 N2 O6.5
• 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: 8.1493 ± 0.0012 Å
• b: 9.642 ± 0.0017 Å
• c: 11.4398 ± 0.001 Å
• α: 74.396 ± 0.01°
• β: 88.752 ± 0.01°
• γ: 78.9 ± 0.017°
• Cell volume: 849.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No