Information card for entry 2219483

Structure parameters

• Chemical name: N,N'-Bis(2-iodobenzylidene)ethane-1,2-diamine
• Formula: C16 H14 I2 N2
• Calculated formula: C16 H14 I2 N2
• SMILES: Ic1ccccc1/C=N/CC/N=C/c1ccccc1I
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-iodobenzylidene)ethane-1,2-diamine
• Authors of publication: Fun, Hoong-Kun; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1870 - o1871
• a: 12.182 ± 0.0004 Å
• b: 4.5978 ± 0.0001 Å
• c: 14.5664 ± 0.0004 Å
• α: 90°
• β: 94.424 ± 0.002°
• γ: 90°
• Cell volume: 813.44 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0404
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes