Information card for entry 1572913

Structure parameters

• Formula: C7 H10 Cl N O2
• Calculated formula: C7 H10 Cl N O2
• 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: 7.7469 ± 0.0004 Å
• b: 9.1814 ± 0.0005 Å
• c: 13.0548 ± 0.0007 Å
• α: 82.272 ± 0.002°
• β: 80.701 ± 0.002°
• γ: 66.1 ± 0.002°
• Cell volume: 835.32 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0359
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0665
• 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