Information card for entry 4508466

Structure parameters

• Common name: CpoOMe
• Chemical name: 2-methoxyphenyl-pyridin-4-ylcarbamate
• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• SMILES: O=C(Oc1c(OC)cccc1)Nc1ccncc1
• Title of publication: The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates
• Authors of publication: Mocilac, Pavle; Gallagher, John F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5295
• a: 12.9035 ± 0.0004 Å
• b: 12.2505 ± 0.0004 Å
• c: 7.5124 ± 0.0003 Å
• α: 90°
• β: 105.507 ± 0.004°
• γ: 90°
• Cell volume: 1144.29 ± 0.07 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: 0.0933
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No