Information card for entry 7134328

Structure parameters

• Formula: C17 H11 Cl N2 O
• Calculated formula: C17 H11 Cl N2 O
• Title of publication: Ru(ii)-catalyzed oxidative (4+3) C–H/C–H annulation of 2-aryl-4H-pyrido[1,2-a]pyrimidin-4-ones with allyl alcohol
• Authors of publication: Jangir, Tarun; Nipate, Dhananjay S.; Rangan, Krishnan; Kumar, Anil
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 31
• Pages of publication: 5762 - 5765
• a: 20.4063 ± 0.0006 Å
• b: 4.2344 ± 0.0002 Å
• c: 15.0153 ± 0.0005 Å
• α: 90°
• β: 91.449 ± 0.003°
• γ: 90°
• Cell volume: 1297.03 ± 0.08 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No