Information card for entry 7200412

Structure parameters

• Formula: C26 H19 I N2 O3
• Calculated formula: C26 H19 I N2 O3
• SMILES: Ic1ccc(cc1C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)N(=O)=O
• Title of publication: Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions
• Authors of publication: Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 235
• a: 8.4506 ± 0.0009 Å
• b: 9.3577 ± 0.001 Å
• c: 15.3062 ± 0.0016 Å
• α: 92.232 ± 0.001°
• β: 95.942 ± 0.001°
• γ: 111.294 ± 0.001°
• Cell volume: 1117.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No