Information card for entry 2237946

Structure parameters

• Chemical name: Methyl 2-[(2-chloroquinolin-3-yl)(hydroxy)methyl]acrylate
• Formula: C14 H12 Cl N O3
• Calculated formula: C14 H12 Cl N O3
• SMILES: COC(=O)C(=C)C(c1cc2ccccc2nc1Cl)O
• Title of publication: Methyl 2-[(2-chloroquinolin-3-yl)(hydroxy)methyl]acrylate
• Authors of publication: Anuradha, T.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o990
• a: 9.2614 ± 0.0004 Å
• b: 11.0309 ± 0.0004 Å
• c: 13.8161 ± 0.0006 Å
• α: 102.557 ± 0.002°
• β: 100.646 ± 0.002°
• γ: 103.704 ± 0.002°
• Cell volume: 1296.29 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes