Information card for entry 2211952

Structure parameters

• Chemical name: 2-nitroaniline–picric acid (2/1)
• Formula: C18 H15 N7 O11
• Calculated formula: C18 H15 N7 O11
• SMILES: Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.c1(c(cccc1)N)N(=O)=O.c1(c(cccc1)N)N(=O)=O
• Title of publication: A 2:1 complex of 2-nitroaniline and picric acid
• Authors of publication: Kolandaivelu Saminathan; Kandasamy Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o354 - o356
• a: 10.3644 ± 0.0017 Å
• b: 15.1394 ± 0.0019 Å
• c: 14.1042 ± 0.0015 Å
• α: 90°
• β: 106.943 ± 0.011°
• γ: 90°
• Cell volume: 2117 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes