Information card for entry 2240589

Structure parameters

• Chemical name: 2-Chloro-3-[(naphthalen-1-yloxy)methyl]quinoline
• Formula: C20 H14 Cl N O
• Calculated formula: C20 H14 Cl N O
• SMILES: n1c(Cl)c(cc2ccccc12)COc1cccc2ccccc12
• Title of publication: Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking
• Authors of publication: Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 609 - 617
• a: 5.3165 ± 0.0003 Å
• b: 10.5098 ± 0.0004 Å
• c: 13.6201 ± 0.0007 Å
• α: 90°
• β: 98.527 ± 0.005°
• γ: 90°
• Cell volume: 752.62 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes