Information card for entry 2235982

Structure parameters

• Chemical name: 6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1<i>H</i>)-one
• Formula: C15 H8 Cl4 N2 O
• Calculated formula: C15 H8 Cl4 N2 O
• SMILES: Clc1cc2[nH]c(=O)c(nc2cc1Cl)Cc1c(Cl)cc(Cl)cc1
• Title of publication: 6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1<i>H</i>)-one
• Authors of publication: Zhang, Jinpeng; Wang, Yinan; Wang, Qian; Xu, Lichun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2481
• a: 7.715 ± 0.0007 Å
• b: 8.2058 ± 0.0008 Å
• c: 11.9722 ± 0.0012 Å
• α: 83.771 ± 0.001°
• β: 84.362 ± 0.001°
• γ: 84.298 ± 0.002°
• Cell volume: 746.79 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1131
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes