Information card for entry 8105221

Structure parameters

• Chemical name: (<i>E<i>)-2-(((2-(1H-indol-3-yl)ethyl)iminio)methyl)-6-bromophenolate
• Formula: C17 H15 Br N2 O
• Calculated formula: C17 H15 Br N2 O
• Title of publication: The crystal structure of (E)-2-(((2-(1H-indol-3-yl)ethyl)iminio)methyl)-6-bromophenolate, C17H15N2BrO
• Authors of publication: Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 571 - 572
• a: 8.9886 ± 0.0008 Å
• b: 8.2159 ± 0.0007 Å
• c: 20.164 ± 0.002 Å
• α: 90°
• β: 92.58 ± 0.009°
• γ: 90°
• Cell volume: 1487.6 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0493
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No