Information card for entry 2208764

Structure parameters

• Chemical name: (E,E)-1-(3-Iodophenyl)-4-(3-nitrophenyl)-2,3-diazabuta-1,3-diene
• Formula: C14 H10 I0.82 N3.18 O2.34
• Calculated formula: C14 H10 I0.826 N3.174 O2.348
• Title of publication: (<i>E</i>,<i>E</i>)-1-(3-Iodophenyl)-4-(3-nitrophenyl)-2,3-diazabuta-1,3-diene
• Authors of publication: Low, John N.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1399 - o1401
• a: 3.8044 ± 0.0002 Å
• b: 15.0015 ± 0.0011 Å
• c: 11.6159 ± 0.0008 Å
• α: 90°
• β: 90.658 ± 0.004°
• γ: 90°
• Cell volume: 662.9 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes