Information card for entry 2201481

Structure parameters

• Chemical name: N-Éthyl-N-[2-(3-phénylisoxazol-5-ylméthylamino)phényl]benzylacétamide
• Formula: C27 H27 N3 O2
• Calculated formula: C27 H27 N3 O2
• SMILES: O=C(N(c1ccccc1NCc1onc(c1)c1ccccc1)CC)CCc1ccccc1
• Title of publication: <i>N</i>-Éthyl-<i>N</i>-[2-(3-phénylisoxazol-5-ylméthylamino)phényl]benzylacétamide
• Authors of publication: Essassi, E. M.; Tene Ghomsi, J. N.; Ahabchane, N. H.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1304 - o1305
• a: 9.825 ± 0.001 Å
• b: 10.999 ± 0.001 Å
• c: 12.095 ± 0.001 Å
• α: 91.56 ± 0.01°
• β: 109.22 ± 0.01°
• γ: 109.37 ± 0.01°
• Cell volume: 1150.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No