Information card for entry 2312694

Structure parameters

• Chemical name: <i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-methylbenzamide
• Formula: C19 H19 N3 O2
• Calculated formula: C19 H19 N3 O2
• Title of publication: High-throughput crystallization and crystal structure of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-methylbenzamide: a benzamide bearing the 4-aminoantipyrine moiety.
• Authors of publication: Al Mamari, Hamad H.; Al Sulaimi, Shamsaa; Mardiana, Lina; Waddell, Paul G.; Hall, Michael J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 12
• a: 14.043 ± 0.0007 Å
• b: 6.013 ± 0.0003 Å
• c: 20.3113 ± 0.0009 Å
• α: 90°
• β: 104.295 ± 0.005°
• γ: 90°
• Cell volume: 1661.99 ± 0.14 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes