Information card for entry 7232848

Structure parameters

• Common name: CopF
• Chemical name: 4-Fluorophenyl-N-2-pyridylcarbamate
• Formula: C12 H9 F N2 O2
• Calculated formula: C12 H9 F N2 O2
• Title of publication: Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?
• Authors of publication: Mocilac, Pavle; Gallagher, John F.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 27
• Pages of publication: 4048
• a: 3.8471 ± 0.0004 Å
• b: 11.6218 ± 0.0019 Å
• c: 12.467 ± 0.002 Å
• α: 108.261 ± 0.015°
• β: 90.417 ± 0.011°
• γ: 95.461 ± 0.011°
• Cell volume: 526.52 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No