Information card for entry 2013677

Structure parameters

• Chemical name: N-(2-Iodo-4-nitrophenyl)-4-iodobenzamide
• Formula: C13 H8 I2 N2 O3
• Calculated formula: C13 H8 I2 N2 O3
• SMILES: c1(ccc(cc1)I)C(=O)Nc1c(cc(cc1)N(=O)=O)I
• Title of publication: Bilayers in 4-iodo-<i>N</i>-(2-iodo-4-nitrophenyl)benzamide generated by a combination of an N—H···O=C hydrogen bond and two independent iodo‒nitro interactions
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o636 - o637
• a: 15.6188 ± 0.0005 Å
• b: 4.7253 ± 0.0001 Å
• c: 19.7669 ± 0.0007 Å
• α: 90°
• β: 104.082 ± 0.0012°
• γ: 90°
• Cell volume: 1415.02 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes