Information card for entry 2226534

Structure parameters

• Chemical name: <i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)acetamide‒naphthalene-2,3-diol (1/1)
• Formula: C23 H23 N3 O4
• Calculated formula: C23 H23 N3 O4
• SMILES: O=C(NC1C(=O)N(N(C=1C)C)c1ccccc1)C.Oc1cc2ccccc2cc1O
• Title of publication: <i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide‒naphthalene-2,3-diol (1/1)
• Authors of publication: Asiri, Abdullah M.; Khan, Salman A.; Tan, Kong Wai; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1850
• a: 12.426 ± 0.001 Å
• b: 14.304 ± 0.002 Å
• c: 12.959 ± 0.001 Å
• α: 90°
• β: 117.845 ± 0.001°
• γ: 90°
• Cell volume: 2036.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes