Information card for entry 7059006

Structure parameters

• Formula: C10 H8 N4 O2
• Calculated formula: C10 H8 N4 O2
• Title of publication: New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions
• Authors of publication: Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 14355
• a: 7.6034 ± 0.0004 Å
• b: 14.7108 ± 0.0007 Å
• c: 8.7184 ± 0.0004 Å
• α: 90°
• β: 100.023 ± 0.002°
• γ: 90°
• Cell volume: 960.29 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No