Information card for entry 2219428

Structure parameters

• Chemical name: (<i>RS</i>)-<i>N</i>-[(4-Chlorophenyl)(phenyl)methyl]formamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: N(C(c1ccc(cc1)Cl)c1ccccc1)C=O
• Title of publication: (<i>RS</i>)-<i>N</i>-[(4-Chlorophenyl)(phenyl)methyl]formamide
• Authors of publication: Zou, Zhi-Hong; Wang, Qi-Yuan; Li, Zhong-Shu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1698
• a: 16.83 ± 0.004 Å
• b: 9.6318 ± 0.0012 Å
• c: 16.683 ± 0.004 Å
• α: 90°
• β: 111.538 ± 0.012°
• γ: 90°
• Cell volume: 2515.5 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes