Information card for entry 2010772

Structure parameters

• Chemical name: N-benzyl-2'-iodocinnamanilide
• Formula: C22 H18 I N O
• Calculated formula: C22 H18 I N O
• SMILES: Ic1c(N(C(=O)/C=C/c2ccccc2)Cc2ccccc2)cccc1
• Title of publication: <i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide
• Authors of publication: Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 349 - 350
• a: 17.7759 ± 0.0003 Å
• b: 9.0661 ± 0.0002 Å
• c: 23.5939 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3802.35 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes