Information card for entry 2219527

Structure parameters

• Chemical name: Methyl (1<i>H</i>-pyrrol-2-ylcarbonylamino)acetate
• Formula: C8 H10 N2 O3
• Calculated formula: C8 H10 N2 O3
• SMILES: O=C(NCC(=O)OC)c1ccc[nH]1
• Title of publication: Methyl (1<i>H</i>-pyrrol-2-ylcarbonylamino)acetate
• Authors of publication: Tang, Gui Hong; Li, Dong Dong; Zeng, Xiang Chao; Dong, Shi Song; Wang, Yan Shuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1867
• a: 11.3398 ± 0.0019 Å
• b: 5.0732 ± 0.0009 Å
• c: 16.5 ± 0.003 Å
• α: 90°
• β: 108.06 ± 0.003°
• γ: 90°
• Cell volume: 902.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes