Information card for entry 2233951

Structure parameters

• Chemical name: Ethyl <i>N</i>-(2-benzoyl-4-chlorophenyl)ethanecarboximidate
• Formula: C17 H16 Cl N O2
• Calculated formula: C17 H16 Cl N O2
• SMILES: c1(c(cc(Cl)cc1)C(=O)c1ccccc1)/N=C(\C)OCC
• Title of publication: Ethyl <i>N</i>-(2-benzoyl-4-chlorophenyl)ethanecarboximidate
• Authors of publication: Sumathi, H. P.; Dayananda, A. S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o916
• a: 7.9674 ± 0.0011 Å
• b: 8.6993 ± 0.0017 Å
• c: 11.596 ± 0.002 Å
• α: 104.499 ± 0.017°
• β: 94.871 ± 0.014°
• γ: 95.001 ± 0.014°
• Cell volume: 770.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes