Information card for entry 7223346

Structure parameters

• Formula: C11 H9 N2 O3
• Calculated formula: C11 H9 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: 4.9838 ± 0.0002 Å
• b: 9.8417 ± 0.0004 Å
• c: 10.3031 ± 0.0005 Å
• α: 100.059 ± 0.003°
• β: 100.517 ± 0.003°
• γ: 91.372 ± 0.003°
• Cell volume: 488.42 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No