Information card for entry 2227766

Structure parameters

• Chemical name: Ethyl 1,5-diphenyl-1<i>H</i>-pyrazole-4-carboxylate
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: CCOC(=O)c1cnn(c1c1ccccc1)c1ccccc1
• Title of publication: Ethyl 1,5-diphenyl-1<i>H</i>-pyrazole-4-carboxylate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2282 - o2283
• a: 9.2015 ± 0.0008 Å
• b: 10.4638 ± 0.0009 Å
• c: 16.9332 ± 0.0015 Å
• α: 97.515 ± 0.002°
• β: 104.605 ± 0.002°
• γ: 104.578 ± 0.002°
• Cell volume: 1493.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes