Information card for entry 1502741

Structure parameters

• Common name: 2-chloro-(quinolin-3-yl) methanol
• Formula: C10 H8 Cl N O
• Calculated formula: C10 H8 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: 7.088 ± 0.002 Å
• b: 7.22 ± 0.002 Å
• c: 9.14 ± 0.002 Å
• α: 92.55 ± 0.02°
• β: 106.95 ± 0.01°
• γ: 110.32 ± 0.02°
• Cell volume: 414 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0168
• Residual factor for significantly intense reflections: 0.0109
• Weighted residual factors for all reflections included in the refinement: 0.0299
• RFsqd: 0.0168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No