Information card for entry 2015055

Structure parameters

• Chemical name: 2-Iodo-N-(4-nitrophenyl)benzamide
• Formula: C13 H9 I N2 O3
• Calculated formula: C13 H9 I N2 O3
• SMILES: Ic1c(C(=O)Nc2ccc(N(=O)=O)cc2)cccc1
• Title of publication: 2-Iodo-<i>N</i>-(4-nitrophenyl)benzamide forms hydrogen-bonded sheets of <i>R</i>~4~^4^(24) rings
• Authors of publication: Garden, Simon J.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o450 - o451
• a: 10.3792 ± 0.0004 Å
• b: 13.6412 ± 0.0006 Å
• c: 9.8265 ± 0.0004 Å
• α: 90°
• β: 107.383 ± 0.0011°
• γ: 90°
• Cell volume: 1327.74 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes