Information card for entry 2009387

Structure parameters

• Chemical name: N-methylnitrilotriacetamide
• Formula: C7 H14 N4 O3
• Calculated formula: C7 H14 N4 O3
• SMILES: CNC(=O)CN(CC(=O)N)CC(=O)N
• Title of publication: <i>N</i>-Methylnitrilotriacetamide, C~7~H~14~N~4~O~3~
• Authors of publication: Skrzypczak-Jankun, Ewa; Smith, Douglas A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 91 - 93
• a: 8.107 ± 0.002 Å
• b: 9.757 ± 0.002 Å
• c: 26.891 ± 0.006 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2127.1 ± 0.8 ų
• Cell temperature: 294 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 significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No