Information card for entry 2243476

Structure parameters

• Chemical name: <i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: O=C(N[C@@H](C)c1ccccc1)c1ccccc1
• Title of publication: One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide
• Authors of publication: Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1229 - 1233
• a: 5.0472 ± 0.0004 Å
• b: 9.3118 ± 0.0007 Å
• c: 13.9581 ± 0.0015 Å
• α: 90°
• β: 99.708 ± 0.008°
• γ: 90°
• Cell volume: 646.62 ± 0.1 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes