Information card for entry 2241398

Structure parameters

• Chemical name: 5-[4-(Dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde
• Formula: C19 H21 N3 O
• Calculated formula: C19 H21 N3 O
• SMILES: O=CN1N=C(CC1c1ccc(N(C)C)cc1)c1ccc(cc1)C
• Title of publication: Crystal structure of 5-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde
• Authors of publication: Adam, Farook; Samshuddin, Seranthimata; Ameram, Nadiah; Subramaya; Samartha, Laxminarayana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1031 - o1032
• a: 21.9524 ± 0.0015 Å
• b: 6.2511 ± 0.0004 Å
• c: 24.1521 ± 0.0016 Å
• α: 90°
• β: 106.307 ± 0.0009°
• γ: 90°
• Cell volume: 3181 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes