Information card for entry 2228734

Structure parameters

• Chemical name: Methyl 3-(2-furylmethylidene)carbazate
• Formula: C7 H8 N2 O3
• Calculated formula: C7 H8 N2 O3
• SMILES: COC(=O)N/N=C/c1ccco1
• Title of publication: Methyl 3-(2-furylmethylidene)carbazate
• Authors of publication: Li, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o64
• a: 14.668 ± 0.005 Å
• b: 7.7356 ± 0.0015 Å
• c: 14.72 ± 0.003 Å
• α: 90°
• β: 104.11 ± 0.04°
• γ: 90°
• Cell volume: 1619.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes