Information card for entry 2005572

Structure parameters

• Chemical name: (1:1) p-nitroaniline/3,5-dinitromethyl salicylate co-crystal
• Formula: C14 H12 N4 O9
• Calculated formula: C14 H12 N4 O9
• Title of publication: <i>p</i>-Nitroaniline‒3,5-Dinitromethyl Salicylate (1:1) Co-Crystal
• Authors of publication: Huang, K.-S.; Britton, D.; Etter, M. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2868 - 2871
• a: 7.755 ± 0.006 Å
• b: 15.352 ± 0.004 Å
• c: 13.508 ± 0.009 Å
• α: 90°
• β: 95.73 ± 0.06°
• γ: 90°
• Cell volume: 1600.2 ± 1.7 ų
• Cell temperature: 211 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 significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No