Information card for entry 2242864

Structure parameters

• Chemical name: 2-Methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate
• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• SMILES: O=C(Nc1c(C)cccc1)c1cccc(OC(=O)C)c1C
• Title of publication: Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate
• Authors of publication: Yaman, Mavişe; Cakmak, Şukriye; Dege, Necmi; Odabaşoğlu, Mustafa; Pavlenko, Vadim A.; Kutuk, Halil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 423 - 427
• a: 7.7842 ± 0.0005 Å
• b: 8.8802 ± 0.0005 Å
• c: 22.2112 ± 0.0015 Å
• α: 94.791 ± 0.005°
• β: 97.62 ± 0.005°
• γ: 90.043 ± 0.005°
• Cell volume: 1516.37 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes