Information card for entry 2009259

Structure parameters

• Chemical name: N-benzyl-N-(2-iodo-4-methylphenyl)cinnamamide
• Formula: C23 H20 I N O
• Calculated formula: C23 H20 I N O
• SMILES: Ic1c(N(C(=O)/C=C/c2ccccc2)Cc2ccccc2)ccc(c1)C
• Title of publication: <i>N</i>-Benzyl-<i>N</i>-(2-iodo-4-methylphenyl)cinnamamide and <i>N</i>-benzyl-<i>N</i>-(<i>p</i>-tolyl)cinnamamide
• Authors of publication: Shanmuga Sundara Raj, S.; Renganayaki, S.; Subramanian, E.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2182 - 2184
• a: 9.3376 ± 0.0004 Å
• b: 10.1794 ± 0.0004 Å
• c: 10.9289 ± 0.0005 Å
• α: 95.498 ± 0.001°
• β: 103.262 ± 0.001°
• γ: 90.284 ± 0.001°
• Cell volume: 1006.06 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No