Information card for entry 2213143

Structure parameters

• Chemical name: 4-Pyridylmethyl 1H-pyrrole-2-carboxylate
• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: O(Cc1ccncc1)C(=O)c1[nH]ccc1
• Title of publication: 4-Pyridylmethyl 1<i>H</i>-pyrrole-2-carboxylate
• Authors of publication: Wu-Yan Wang; Zhen-Ming Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2737 - o2738
• a: 7.698 ± 0.003 Å
• b: 15.796 ± 0.006 Å
• c: 8.789 ± 0.003 Å
• α: 90°
• β: 99.771 ± 0.007°
• γ: 90°
• Cell volume: 1053.2 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes