Information card for entry 4515877

Structure parameters

• Chemical name: N-(Phenyl)-2,2,2-trimethylacetamide
• Formula: C11 H15 N O
• Calculated formula: C11 H15 N O
• SMILES: C(C)(C)(C)C(=O)Nc1ccccc1
• Title of publication: Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.
• Authors of publication: Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 13850 - 13861
• a: 9.969 ± 0.003 Å
• b: 10.642 ± 0.003 Å
• c: 10.172 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No