Information card for entry 2216551

Structure parameters

• Common name: N-acryloylglycylglycine monohydrate
• Chemical name: 2-(2-acrylamidoacetamido)acetic acid monohydrate
• Formula: C7 H12 N2 O5
• Calculated formula: C7 H12 N2 O5
• SMILES: O.O=C(NCC(=O)NCC(=O)O)C=C
• Title of publication: <i>N</i>-Acryloylglycylglycine monohydrate
• Authors of publication: Gao, Xiao-feng; Wu, Cong-ren; Wang, Hai-bo; Wang, Jin-tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4580 - o4580
• a: 13.332 ± 0.003 Å
• b: 5.149 ± 0.001 Å
• c: 14.458 ± 0.003 Å
• α: 90°
• β: 103.09 ± 0.03°
• γ: 90°
• Cell volume: 966.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes