Information card for entry 1572907

Structure parameters

• Formula: C7 H10 Cl N O
• Calculated formula: C7 H10 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: 6.2444 ± 0.0003 Å
• b: 9.2125 ± 0.0004 Å
• c: 6.7656 ± 0.0003 Å
• α: 90°
• β: 94.855 ± 0.002°
• γ: 90°
• Cell volume: 387.81 ± 0.03 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: 0.0312
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No