Information card for entry 8101753

Structure parameters

• Chemical name: diethyl 2-(1-methyl-5-nitro-1H-imidazol-4-ylmethylene)malonate
• Formula: C12 H15 N3 O6
• Calculated formula: C12 H15 N3 O6
• Title of publication: Crystal structure of diethyl 2-(1-methyl-5-nitro-1H-imidazol-4-ylmethylene) malonate, C~12~H~15~N~3~O~6~
• Authors of publication: M. D. Crozet; M. Giorgi; T. Terme; P. Vanelle
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 217 - 218
• a: 14.794 ± 0.0007 Å
• b: 5.461 ± 0.0001 Å
• c: 18.042 ± 0.0009 Å
• α: 90°
• β: 93.812 ± 0.001°
• γ: 90°
• Cell volume: 1454.39 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No