Information card for entry 2241972

Structure parameters

• Chemical name: 1-(2-Bromophenyl)-2-chloro-3-(2-chloracetyl)-1<i>H</i>-indole
• Formula: C16 H10 Br Cl2 N O
• Calculated formula: C16 H10 Br Cl2 N O
• Title of publication: Synthesis and structure of 1-(2-bromophenyl)-2-chloro-3-(2-chloracetyl)-1<i>H</i>-indole
• Authors of publication: Zhang, Ting-ting; Wang, Bing; Lu, Qing; Zhao, Jun-fang; Lei, Hong; Fang, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1867 - 1871
• a: 10.2155 ± 0.001 Å
• b: 11.3645 ± 0.0011 Å
• c: 13.5252 ± 0.0013 Å
• α: 90°
• β: 101.141 ± 0.002°
• γ: 90°
• Cell volume: 1540.6 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes