Information card for entry 7106871

Structure parameters

• Formula: C16 H22 N4 O6
• Calculated formula: C16 H14 N4 O2
• SMILES: O=C(/C=C/c1ccncc1)NNC(=O)/C=C/c1ccncc1
• Title of publication: Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State
• Authors of publication: Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10740
• a: 3.7791 ± 0.0007 Å
• b: 12.616 ± 0.002 Å
• c: 17.874 ± 0.003 Å
• α: 90°
• β: 95.028 ± 0.006°
• γ: 90°
• Cell volume: 848.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No