Information card for entry 7232845

Structure parameters

• Common name: CmmCl
• Chemical name: 3-Chlorophenyl-N-3-pyridylcarbamate
• Formula: C12 H9 Cl N2 O2
• Calculated formula: C12 H9 Cl 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: 12.0058 ± 0.0009 Å
• b: 3.7726 ± 0.0006 Å
• c: 24.477 ± 0.003 Å
• α: 90°
• β: 93.046 ± 0.011°
• γ: 90°
• Cell volume: 1107.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No