Information card for entry 2101810

Structure parameters

• Common name: (3)
• Chemical name: alpha-(2-pyridine)-2,4-dinitrophenylethenyl
• Formula: C13 H11 N3 O4
• Calculated formula: C13 H11 N3 O4
• SMILES: c1cccc(C(c2ccc(cc2N(=O)=O)N(=O)=O)C)n1
• Title of publication: Effects of Crystal Packing on Photoinduced Proton-Transfer Processes of 2,4-Dinitrobenzylpyridine Derivatives
• Authors of publication: Khatib, S.; Botoshansky, M.; Eichen, Y.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 306 - 316
• a: 10.214 ± 0.003 Å
• b: 13.221 ± 0.004 Å
• c: 10.068 ± 0.003 Å
• α: 92.12 ± 0.03°
• β: 105.29 ± 0.03°
• γ: 89.55 ± 0.03°
• Cell volume: 1310.6 ± 0.7 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: 0.1329
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.2129
• Weighted residual factors for significantly intense reflections: 0.125
• Goodness-of-fit parameter for all reflections: 1.183
• Goodness-of-fit parameter for significantly intense reflections: 1.342
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No