Information card for entry 2203246

Structure parameters

• Chemical name: 2-Chloro-3-chloromethylbenzo[h]quinoline
• Formula: C14 H9 Cl2 N
• Calculated formula: C14 H9 Cl2 N
• SMILES: Clc1nc2c3c(ccc2cc1CCl)cccc3
• Title of publication: 2-Chloro-3-chloromethylbenzo[<i>h</i>]quinoline
• Authors of publication: Beghidja, Adel; Benboudiaf, Ali; Beghidja, Chahrazed; Welter, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o228 - o229
• a: 6.9211 ± 0.001 Å
• b: 8.3176 ± 0.001 Å
• c: 10.648 ± 0.001 Å
• α: 79.21 ± 0.1°
• β: 76.19 ± 0.1°
• γ: 85.84 ± 0.1°
• Cell volume: 584.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes