Information card for entry 2014908

Structure parameters

• Chemical name: 1-(2-Iodophenyl)-4-(2-nitrophenyl)-2,3-diaza-1,3-butadiene
• Formula: C14 H10 I1.118 N2.882 O1.764
• Calculated formula: C14 H10 I1.118 N2.882 O1.764
• Title of publication: Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o312 - o316
• a: 15.3033 ± 0.0008 Å
• b: 3.7952 ± 0.0003 Å
• c: 23.3097 ± 0.0016 Å
• α: 90°
• β: 97.836 ± 0.004°
• γ: 90°
• Cell volume: 1341.16 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes