Information card for entry 1548670

Structure parameters

• Chemical name: Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate
• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: O=C(OCC)c1nn(c2c3c(Cc12)cccc3)c1ccccc1
• Title of publication: Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate
• Authors of publication: El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x171840
• a: 32.387 ± 0.003 Å
• b: 9.8559 ± 0.0015 Å
• c: 5.0043 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1597.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes