Information card for entry 2202463

Structure parameters

• Common name: 3,3'-dichloroazobenzene
• Chemical name: trans-Bis(3-chlorophenyl)diazine oxide
• Formula: C12 H8 Cl2 N2 O
• Calculated formula: C12 H8 Cl2 N2 O
• Title of publication: <i>trans</i>-1,2-Bis(3-chlorophenyl)diazene oxide
• Authors of publication: Jose Kavitha, Savaridasson; Srinivasan Chandrasekar; Panchanatheswaran, Krishnaswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o947 - o949
• a: 3.911 ± 0.005 Å
• b: 5.893 ± 0.005 Å
• c: 25.367 ± 0.005 Å
• α: 90°
• β: 94.155 ± 0.005°
• γ: 90°
• Cell volume: 583.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes