Information card for entry 1572908

Structure parameters

• Formula: C5 H6 Cl N O
• Calculated formula: C5 H6 Cl N O
• Title of publication: Dichlorine-Pyridine N-oxide Halogen-Bonded Complexes
• Authors of publication: Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Puttreddy, Rakesh R.; Rissanen, Kari
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 7.2301 ± 0.0013 Å
• b: 7.416 ± 0.002 Å
• c: 11.002 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 589.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No