Information card for entry 2241481

Structure parameters

• Chemical name: 5-(4-Methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: O(c1ccc(cc1)C1N(N=C(C1)c1ccc(cc1)C)C=O)C
• Title of publication: Crystal structure of 5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde
• Authors of publication: Adam, Farook; Samshuddin, Seranthimata; Shruthi; Narayana, Badiadka; Ameram, Nadiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1093 - o1094
• a: 12.0839 ± 0.0009 Å
• b: 6.4197 ± 0.0005 Å
• c: 19.7427 ± 0.0018 Å
• α: 90°
• β: 104.826 ± 0.0012°
• γ: 90°
• Cell volume: 1480.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes