Information card for entry 1502743

Structure parameters

• Common name: 2-chloro-3-(chloromethyl)-8-methylquinoline
• Formula: C11 H9 Cl2 N
• Calculated formula: C11 H9 Cl2 N
• 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: 14.98 ± 0.002 Å
• b: 4.5662 ± 0.0007 Å
• c: 14.858 ± 0.002 Å
• α: 90°
• β: 94.87 ± 0.01°
• γ: 90°
• Cell volume: 1012.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for all reflections included in the refinement: 0.037
• RFsqd: 0.0249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No