Information card for entry 7158123

Structure parameters

• Chemical name: Ethyl (4‒methoxyquinolin‒2‒yl)carbamate
• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• Title of publication: Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.
• Authors of publication: Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 27
• Pages of publication: 6059 - 6065
• a: 7.9429 ± 0.0002 Å
• b: 12.4375 ± 0.0002 Å
• c: 12.8747 ± 0.0003 Å
• α: 87.653 ± 0.002°
• β: 74.488 ± 0.002°
• γ: 87.068 ± 0.002°
• Cell volume: 1223.46 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No