Information card for entry 1572909

Structure parameters

• Formula: C7 H9 Cl2 N O
• Calculated formula: C7 H9 Cl2 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: 6.9789 ± 0.0007 Å
• b: 7.1228 ± 0.0006 Å
• c: 8.6438 ± 0.0009 Å
• α: 90°
• β: 92.072 ± 0.004°
• γ: 90°
• Cell volume: 429.4 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No