Information card for entry 2010773

Structure parameters

• Chemical name: N-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide
• Formula: C29 H24 I N O
• Calculated formula: C29 H24 I N O
• SMILES: Ic1c(N(C(=O)C(=C/c2ccccc2)/c2ccccc2)Cc2ccccc2)ccc(c1)C
• 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: 10.815 ± 0.0002 Å
• b: 11.3607 ± 0.0002 Å
• c: 20.2477 ± 0.0005 Å
• α: 90°
• β: 91.271 ± 0.001°
• γ: 90°
• Cell volume: 2487.14 ± 0.09 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: 0.158
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes