Information card for entry 4508434

Structure parameters

• Chemical name: (E)-bis(3-fluorophenyl)diazene
• Formula: C12 H8 F2 N2
• Calculated formula: C12 H8 F2 N2
• SMILES: c1(cccc(/N=N/c2cc(ccc2)F)c1)F
• 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: 7.1516 ± 0.0006 Å
• b: 5.858 ± 0.0005 Å
• c: 12.2714 ± 0.001 Å
• α: 90°
• β: 108.672 ± 0.005°
• γ: 90°
• Cell volume: 487.04 ± 0.07 ų
• Cell temperature: 100 ± 2 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: 0.0471
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No