Information card for entry 2021657

Structure parameters

• Chemical name: <i>N</i>-(Diphenylphosphoryl)-2-methoxybenzamide
• Formula: C20 H18 N O3 P
• Calculated formula: C20 H18 N O3 P
• SMILES: P(=O)(NC(=O)c1ccccc1OC)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide
• Authors of publication: Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 939
• a: 8.317 ± 0.002 Å
• b: 12.657 ± 0.002 Å
• c: 16.763 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.6 ± 0.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes