Information card for entry 7134345

Structure parameters

• Chemical name: 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• Title of publication: Access to pyrido-pyrimidinone and imidazopyridine via Fe(iii)-mediated denitrogenative annulation of tetrazolopyridine with β-keto ester
• Authors of publication: Sk, Asikul; Banerji, Biswadip
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 34
• Pages of publication: 6312 - 6315
• a: 10.7772 ± 0.0007 Å
• b: 12.8183 ± 0.0008 Å
• c: 8.8804 ± 0.0006 Å
• α: 90°
• β: 92.39 ± 0.002°
• γ: 90°
• Cell volume: 1225.72 ± 0.14 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 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: 0.0419
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0468
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No