Information card for entry 2200181

Structure parameters

• Chemical name: 6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine
• Formula: C19 H12 N4 O4
• Calculated formula: C19 H12 N4 O4
• SMILES: n1c(c2ccc(N(=O)=O)cc2)cc2ncc(C(=O)c3c(O)cccc3)cn12
• Title of publication: 6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>]pyrimidine
• Authors of publication: Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; 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: o182 - o184
• a: 5.5421 ± 0.0002 Å
• b: 11.5858 ± 0.0005 Å
• c: 23.8057 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528.56 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes