Information card for entry 4508470

Structure parameters

• Common name: ComOMe
• Chemical name: 3-methoxyphenyl-pyridin-2-ylcarbamate
• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• SMILES: O=C(Oc1cc(OC)ccc1)Nc1ncccc1
• 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: 5.0984 ± 0.0004 Å
• b: 10.4111 ± 0.0009 Å
• c: 12.2585 ± 0.0011 Å
• α: 107.342 ± 0.008°
• β: 101.655 ± 0.007°
• γ: 93.337 ± 0.007°
• Cell volume: 603.4 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1339
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No