Information card for entry 8107266

Structure parameters

• Formula: C16 H16 I N O2
• Calculated formula: C16 H16 I N O2
• Title of publication: Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2
• Authors of publication: Lv, Chun-Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 969 - 970
• a: 5.7004 ± 0.0002 Å
• b: 6.8909 ± 0.0003 Å
• c: 19.6509 ± 0.0008 Å
• α: 100.035 ± 0.004°
• β: 94.465 ± 0.003°
• γ: 99.447 ± 0.004°
• Cell volume: 745.27 ± 0.05 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0393
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No