Information card for entry 2200183

Structure parameters

• Chemical name: 6-(2-hydroxybenzoyl)-2-phenylpyrazolo[1,5-a]pyrimidine
• Formula: C19 H13 N3 O2
• Calculated formula: C19 H13 N3 O2
• SMILES: n1c(c2ccccc2)cc2ncc(C(=O)c3c(O)cccc3)cn12
• Title of publication: 6-(2-Hydroxybenzoyl)-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine
• Authors of publication: Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o187 - o188
• a: 5.6606 ± 0.0002 Å
• b: 11.7048 ± 0.0005 Å
• c: 21.6815 ± 0.001 Å
• α: 90°
• β: 94.797 ± 0.0015°
• γ: 90°
• Cell volume: 1431.5 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes