Information card for entry 1544192

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide
• Formula: C16 H10 N6 O2
• Calculated formula: C16 H10 N6 O2
• SMILES: O=C(N/C(C#N)=C(/NC(=O)c1ncccc1)C#N)c1ncccc1
• Title of publication: (<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide
• Authors of publication: Posel, Maciej; Stoeckli-Evans, Helen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161464
• a: 5.1939 ± 0.0011 Å
• b: 8.0697 ± 0.0017 Å
• c: 9.1482 ± 0.0015 Å
• α: 106.819 ± 0.019°
• β: 96.077 ± 0.018°
• γ: 92.804 ± 0.018°
• Cell volume: 363.69 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.404
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes