Information card for entry 2220142

Structure parameters

• Chemical name: <i>N</i>-(2-Formamidoethyl)formamide
• Formula: C4 H8 N2 O2
• Calculated formula: C4 H8 N2 O2
• SMILES: O=CNCCNC=O
• Title of publication: <i>N</i>-(2-Formamidoethyl)formamide
• Authors of publication: Yang, Jin-hui; Chen, Yan-xue; Wang, Shao-hui; Wang, Jian-lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2418
• a: 8.7138 ± 0.0017 Å
• b: 6.6714 ± 0.0013 Å
• c: 9.3162 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 541.58 ± 0.19 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes