Information card for entry 2008166

Structure parameters

• Chemical name: N-Methyl-(p-chorophenacyl)aniline
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: Clc1ccc(cc1)C(=O)CN(c1ccccc1)C
• Title of publication: <i>N</i>-(<i>p</i>-Chlorobenzoyl)-<i>N</i>-methylaniline
• Authors of publication: M. Paz Martínez-Alcázar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodríguez
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 256 - 258
• a: 10.236 ± 0.001 Å
• b: 22.433 ± 0.003 Å
• c: 12.188 ± 0.002 Å
• α: 90°
• β: 104.89 ± 0.01°
• γ: 90°
• Cell volume: 2704.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No