Information card for entry 1502742

Structure parameters

• Common name: 2-chloro-3-hydroxy pyridine
• Formula: C5 H4 Cl N O
• Calculated formula: C5 H4 Cl N O
• Title of publication: Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.
• Authors of publication: Hathwar, Venkatesha R.; Guru Row, Tayur N.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 51
• Pages of publication: 13434 - 13441
• a: 23.1021 ± 0.0008 Å
• b: 25.1758 ± 0.0009 Å
• c: 3.7363 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2173.08 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for all reflections included in the refinement: 0.0365
• RFsqd: 0.0189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No