Information card for entry 2201735

Structure parameters

• Chemical name: N-(4-iodopheny)quinoline-2-carboxamide
• Formula: C16 H11 I N2 O
• Calculated formula: C16 H11 I N2 O
• SMILES: Ic1ccc(NC(=O)c2nc3ccccc3cc2)cc1
• Title of publication: <i>N</i>-(4-Iodophenyl)quinoline-2-carboxamide
• Authors of publication: Qi, Jian Ying; Qiu, Li Qin; Yang, Qi Yun; Zhou, Zhong Yuan; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o104 - o105
• a: 6.5389 ± 0.001 Å
• b: 17.036 ± 0.003 Å
• c: 12.702 ± 0.002 Å
• α: 90°
• β: 102.377 ± 0.003°
• γ: 90°
• Cell volume: 1382.1 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes