Information card for entry 2009034

Structure parameters

• Chemical name: N-methyl-[o-iodo-p-chloro phenyl]cinnamamide
• Formula: C16 H13 Cl I N O
• Calculated formula: C16 H13 Cl I N O
• SMILES: Ic1c(N(C(=O)/C=C/c2ccccc2)C)ccc(Cl)c1
• Title of publication: <i>N</i>-(4-Chloro-2-iodophenyl)-<i>N</i>-methylcinnamamide
• Authors of publication: S. Renganayaki; E. Subramanian; S. Shanmuga Sundara Raj; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1672 - 1673
• a: 9.0587 ± 0.0002 Å
• b: 10.2616 ± 0.0002 Å
• c: 10.3295 ± 0.0002 Å
• α: 79.104 ± 0.001°
• β: 64.898 ± 0.001°
• γ: 65.456 ± 0.001°
• Cell volume: 790.85 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No