Information card for entry 2214776

Structure parameters

• Chemical name: Bis[3-(chloroacetyl)phenyl]diazene
• Formula: C14 H8 Cl2 N2 O2
• Calculated formula: C14 H8 Cl2 N2 O2
• SMILES: ClC(=O)c1cccc(c1)/N=N/c1cccc(c1)C(=O)Cl
• Title of publication: Bis[3-(chloroacetyl)phenyl]diazene
• Authors of publication: De-Mei Tian; Yong-Sheng Niu; Chuan-Xi Xiong; Bo Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3373 - o3373
• a: 12.7512 ± 0.0015 Å
• b: 3.9116 ± 0.0004 Å
• c: 16.655 ± 0.0014 Å
• α: 90°
• β: 126.189 ± 0.006°
• γ: 90°
• Cell volume: 670.45 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No