Information card for entry 2232810

Structure parameters

• Chemical name: Ethyl 1-cyclohexyl-5-(4-methoxyphenyl)-1<i>H</i>-pyrazole-4-carboxylate
• Formula: C19 H24 N2 O3
• Calculated formula: C19 H24 N2 O3
• SMILES: O(c1ccc(c2n(ncc2C(=O)OCC)C2CCCCC2)cc1)C
• Title of publication: Ethyl 1-cyclohexyl-5-(4-methoxyphenyl)-1<i>H</i>-pyrazole-4-carboxylate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Chandrakantha, B.; Isloor, A. M.; Shetty, Prakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3460 - o3461
• a: 6.8959 ± 0.0007 Å
• b: 11.0858 ± 0.0007 Å
• c: 12.0142 ± 0.0012 Å
• α: 100.69 ± 0.002°
• β: 93.107 ± 0.001°
• γ: 95.354 ± 0.001°
• Cell volume: 896.16 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0641
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes