Information card for entry 7223482

Structure parameters

• Formula: C19 H15 N3 O
• Calculated formula: C19 H15 N3 O
• SMILES: c12ccccc1c(c[nH]2)/C=C/1C(=O)N(c2ccccc2)N=C1C
• Title of publication: SiO2/ZnBr2 mediated expeditious approach to 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one derivatives in water under microwave irradiation
• Authors of publication: Parveen, Mehtab; Azaz, Shaista; Malla, Ali Mohammed; Ahmad, Faheem; Ahmad, Musheer; Gupta, Mayank
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.81 ± 0.005 Å
• b: 9.256 ± 0.005 Å
• c: 26.893 ± 0.005 Å
• α: 90°
• β: 94.997 ± 0.005°
• γ: 90°
• Cell volume: 1440.7 ± 1.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No