Information card for entry 2240546

Structure parameters

• Chemical name: Ethyl <i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)carbamate
• Formula: C14 H17 N3 O3
• Calculated formula: C14 H17 N3 O3
• SMILES: O=C1N(N(C(=C1NC(=O)OCC)C)C)c1ccccc1
• Title of publication: Crystal structure of ethyl <i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)carbamate
• Authors of publication: Danish, Muhammad; Tahir, Muhammad Nawaz; Anwar, Uzma; Raza, Muhammad Asam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o267
• a: 8.21 ± 0.0004 Å
• b: 11.4137 ± 0.0006 Å
• c: 15.1594 ± 0.0008 Å
• α: 90°
• β: 93.403 ± 0.003°
• γ: 90°
• Cell volume: 1418.03 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes