Information card for entry 2311320

Structure parameters

• Common name: CmoM
• Chemical name: 2-Methylphenyl <i>N</i>-(pyridin-3-yl)carbamate monohydrate
• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• Title of publication: Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.
• Authors of publication: Mocilac, Pavle; Gallagher, John F.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 11
• Pages of publication: 1366 - 1370
• a: 10.9754 ± 0.0002 Å
• b: 12.9877 ± 0.0002 Å
• c: 8.9544 ± 0.0002 Å
• α: 90°
• β: 96.546 ± 0.002°
• γ: 90°
• Cell volume: 1268.09 ± 0.04 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: 0.068
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No