Information card for entry 2223130

Structure parameters

• Common name: 2-(formic acid methyleester)pyrrole
• Chemical name: Methyl 1<i>H</i>-pyrrole-2-carboxylate
• Formula: C6 H7 N O2
• Calculated formula: C6 H7 N O2
• SMILES: O(C(=O)c1[nH]ccc1)C
• Title of publication: Methyl 1<i>H</i>-pyrrole-2-carboxylate
• Authors of publication: Kerscher, Tobias; Mayer, Peter; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2195
• a: 7.5346 ± 0.0019 Å
• b: 5.4598 ± 0.0014 Å
• c: 14.73 ± 0.004 Å
• α: 90°
• β: 100.55 ± 0.02°
• γ: 90°
• Cell volume: 595.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes