Information card for entry 4508437

Structure parameters

• Chemical name: (E)-bis(3-chlorophenyl)diazene
• Formula: C12 H8 Cl2 N2
• Calculated formula: C12 H8 Cl2 N2
• SMILES: c1(cc(ccc1)/N=N/c1cc(ccc1)Cl)Cl
• Title of publication: Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes
• Authors of publication: Karanam, Maheswararao; Choudhury, Angshuman Roy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4803
• a: 12.7716 ± 0.0012 Å
• b: 3.8032 ± 0.0004 Å
• c: 11.6316 ± 0.0011 Å
• α: 90°
• β: 105.903 ± 0.002°
• γ: 90°
• Cell volume: 543.36 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No