Information card for entry 2014384

Structure parameters

• Chemical name: (E,E)-N,N'-bis(4-nitrobenzylidene)butane-1,4-diamine
• Formula: C18 H18 N4 O4
• Calculated formula: C18 H18 N4 O4
• SMILES: c1(ccc(cc1)N(=O)=O)/C=N/CCCC/N=C/c1ccc(cc1)N(=O)=O
• Title of publication: Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine
• 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: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o1 - o4
• a: 7.1162 ± 0.0004 Å
• b: 7.1895 ± 0.0002 Å
• c: 9.1695 ± 0.0004 Å
• α: 83.21 ± 0.003°
• β: 78.92 ± 0.002°
• γ: 64.808 ± 0.003°
• Cell volume: 416.25 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes