Information card for entry 2229111

Structure parameters

• Chemical name: 3-[5-(2,4-Dichlorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-4-hydroxy-2<i>H</i>-chromen-2-one
• Formula: C24 H16 Cl2 N2 O3
• Calculated formula: C24 H16 Cl2 N2 O3
• SMILES: Clc1c(C2N(N=C(C3C(=O)Oc4ccccc4C=3O)C2)c2ccccc2)ccc(Cl)c1
• Title of publication: 3-[5-(2,4-Dichlorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-4-hydroxy-2<i>H</i>-chromen-2-one
• Authors of publication: Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o437 - o438
• a: 6.2583 ± 0.0002 Å
• b: 11.5136 ± 0.0005 Å
• c: 14.2248 ± 0.0005 Å
• α: 87.242 ± 0.001°
• β: 88.821 ± 0.001°
• γ: 76.181 ± 0.001°
• Cell volume: 994.11 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes