Information card for entry 4513103

Structure parameters

• Chemical name: (E)-1,2-di(pyridine-4-yl)diazene 3,5-dinitrobenzamide
• Formula: C24 H18 N10 O10
• Calculated formula: C24 H18 N10 O10
• SMILES: c1cc(ccn1)/N=N/c1ccncc1.O=C(N)c1cc(cc(N(=O)=O)c1)N(=O)=O.c1(cc(cc(c1)C(=O)N)N(=O)=O)N(=O)=O
• 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: 6.6042 ± 0.0011 Å
• b: 8.0953 ± 0.0014 Å
• c: 13.127 ± 0.002 Å
• α: 106.487 ± 0.003°
• β: 98.862 ± 0.003°
• γ: 95.887 ± 0.003°
• Cell volume: 656.95 ± 0.19 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: 0.0597
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No