Information card for entry 2229042

Structure parameters

• Chemical name: <i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide
• Formula: C5 H5 N3 O3
• Calculated formula: C5 H5 N3 O3
• SMILES: O=C(NN(=O)=O)c1[nH]ccc1
• Title of publication: <i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide
• Authors of publication: Liu, Long; He, Chunlin; Li, Zengxi; Li, Chunshan; Zhang, Xiangping; Zhang, Suojiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o479
• a: 9.988 ± 0.003 Å
• b: 6.4547 ± 0.0017 Å
• c: 19.184 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1236.8 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes