Information card for entry 7223349

Structure parameters

• Formula: C12 H11 N2 O3
• Calculated formula: C12 H11 N2 O3
• Title of publication: Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis
• Authors of publication: Tarai, Arup; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 298
• a: 12.7915 ± 0.0005 Å
• b: 5.0009 ± 0.0002 Å
• c: 16.4829 ± 0.0007 Å
• α: 90°
• β: 90.926 ± 0.003°
• γ: 90°
• Cell volume: 1054.26 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No