Information card for entry 2210826

Structure parameters

• Chemical name: 2'-Chloroacetophenone azine
• Formula: C16 H14 Cl2 N2
• Calculated formula: C16 H14 Cl2 N2
• SMILES: Clc1ccccc1/C(=N/N=C(/c1ccccc1Cl)C)C
• Title of publication: 2'-Chloroacetophenone azine
• Authors of publication: Pu-Su Zhao; Huan-Mei Guo; Fang-Fang Jian; Jian Zheng; Hai-Lian Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4438 - o4439
• a: 17.149 ± 0.003 Å
• b: 11.636 ± 0.002 Å
• c: 8.012 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1598.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes