Information card for entry 2206198

Structure parameters

• Chemical name: 5-nitro-2-furaldehyde N-(hydroxymethyl)semicarbazone
• Formula: C7 H8 N4 O5
• Calculated formula: C7 H8 N4 O5
• SMILES: N(=O)(=O)c1oc(cc1)/C=N/NC(=O)NCO
• Title of publication: 5-Nitro-2-furaldehyde <i>N</i>-(hydroxymethyl)semicarbazone
• Authors of publication: Doriguetto, Antonio C.; de Paula Silva, Carlos H. T.; Ellena, Javier; Trossini, Gustavo H. G.; Chin, Chung Man; Ferreira, Elizabeth I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2099 - o2101
• a: 10.3757 ± 0.0005 Å
• b: 10.8125 ± 0.0005 Å
• c: 16.9455 ± 0.0008 Å
• α: 90°
• β: 92.095 ± 0.003°
• γ: 90°
• Cell volume: 1899.8 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes