Information card for entry 7063426

Structure parameters

• Formula: C25 H19 Cl2 N3 O2
• Calculated formula: C25 H19 Cl2 N3 O2
• Title of publication: Convenient synthesis of spiro-pyrazolone–pyrrolidinones via ipso-cyclization of arylidene pyrazolones with 2-chloro-N-phenylacetamides
• Authors of publication: Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 13.1578 ± 0.0001 Å
• b: 7.9741 ± 0.0001 Å
• c: 20.9819 ± 0.0002 Å
• α: 90°
• β: 91.086 ± 0.001°
• γ: 90°
• Cell volume: 2201.06 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0411
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No