Information card for entry 8107161

Structure parameters

• Formula: C10 H6 Cl3 N O
• Calculated formula: C10 H6 Cl3 N O
• Title of publication: Crystal structure of 2,2-dichloro-1-(4-chloro-1H-indol-1-yl)ethan-1-one, C10H6Cl3NO
• Authors of publication: Ma, Zhao-Yu; Lu, Wan; Guo, Yu-Chao; Li, Ying-Jiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 593 - 594
• a: 9.7097 ± 0.001 Å
• b: 10.6037 ± 0.0011 Å
• c: 10.1735 ± 0.001 Å
• α: 90°
• β: 96.58 ± 0.004°
• γ: 90°
• Cell volume: 1040.55 ± 0.18 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 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: 0.0233
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No