Information card for entry 4508464

Structure parameters

• Common name: CppOMe
• Chemical name: 4-methoxyphenyl-pyridin-4-ylcarbamate
• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• SMILES: O=C(Oc1ccc(cc1)OC)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: 3.9273 ± 0.0001 Å
• b: 28.2318 ± 0.0006 Å
• c: 11.0309 ± 0.0002 Å
• α: 90°
• β: 94.891 ± 0.002°
• γ: 90°
• Cell volume: 1218.59 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.461
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No