Information card for entry 2208474

Structure parameters

• Common name: Ethyl 1-methyimidazole-2-carboxylate
• Chemical name: ethyl 1-methyimidazole-2-carboxylate
• Formula: C7 H10 N2 O2
• Calculated formula: C7 H10 N2 O2
• SMILES: O(C(=O)c1n(ccn1)C)CC
• Title of publication: Ethyl 1-methylimidazole-2-carboxylate
• Authors of publication: Frye, Brian C.; Mashuta, Mark S.; Mullins, Christopher S.; Grapperhaus, Craig A.; Buchanan, Robert M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1548 - o1549
• a: 7.104 ± 0.0008 Å
• b: 15.2244 ± 0.0018 Å
• c: 7.4511 ± 0.0009 Å
• α: 90°
• β: 112.797 ± 0.002°
• γ: 90°
• Cell volume: 742.92 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes