Information card for entry 2220904

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-4-cyanobenzylidene]urea
• Formula: C17 H10 N4 O
• Calculated formula: C17 H10 N4 O
• SMILES: N#Cc1ccc(cc1)/C=N/C(=O)/N=C/c1ccc(cc1)C#N
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-4-cyanobenzylidene]urea
• Authors of publication: Wu, De-Hong; Hu, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o371
• a: 10.552 ± 0.004 Å
• b: 11.687 ± 0.005 Å
• c: 12.198 ± 0.003 Å
• α: 90°
• β: 99.94 ± 0.04°
• γ: 90°
• Cell volume: 1481.7 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes