Information card for entry 4513106

Structure parameters

• Chemical name: (E)-1,2-di(pyridine-4-yl)diazene Resorcinol
• Formula: C16 H14 N4 O2
• Calculated formula: C16 H14 N4 O2
• SMILES: Oc1cc(O)ccc1.n1ccc(/N=N/c2ccncc2)cc1
• Title of publication: Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions
• Authors of publication: Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2389
• a: 8.059 ± 0.004 Å
• b: 9.776 ± 0.004 Å
• c: 10.885 ± 0.004 Å
• α: 94.425 ± 0.005°
• β: 106.298 ± 0.005°
• γ: 113.321 ± 0.006°
• Cell volume: 738.4 ± 0.5 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: 0.108
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.519
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No