Information card for entry 7249824

Structure parameters

• Formula: C15 H13 N3 O
• Calculated formula: C15 H13 N3 O
• Title of publication: Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH
• Authors of publication: Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 2078 - 2085
• a: 6.916 ± 0.0008 Å
• b: 8.9551 ± 0.0008 Å
• c: 10.3411 ± 0.0006 Å
• α: 95.113 ± 0.006°
• β: 98.415 ± 0.008°
• γ: 90.754 ± 0.008°
• Cell volume: 630.82 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No