Information card for entry 2205749

Structure parameters

• Chemical name: N-phenyl-benzimidic acid 2-allyl-phenyl ester
• Formula: C22 H19 N O
• Calculated formula: C22 H19 N O
• SMILES: N(=C(/Oc1c(cccc1)CC=C)c1ccccc1)\c1ccccc1
• Title of publication: <i>N</i>-Phenylbenzimidic acid 2-allylphenyl ester
• Authors of publication: Guo, Yuping; Zhao, Bing; Li, Chunbao; Gao, Weimin; Li, Jie; Li, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1335 - o1336
• a: 9.6168 ± 0.0013 Å
• b: 9.7218 ± 0.0013 Å
• c: 10.7494 ± 0.0015 Å
• α: 64.237 ± 0.002°
• β: 71.31 ± 0.002°
• γ: 80.941 ± 0.002°
• Cell volume: 857.2 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes