Information card for entry 7223344

Structure parameters

• Formula: C10 H11 Cl N2 O2
• Calculated formula: C10 H11 Cl N2 O2
• SMILES: O/N=C/c1cc[nH+]c2c1cccc2.[Cl-].O
• 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: 7.65 ± 0.009 Å
• b: 7.943 ± 0.008 Å
• c: 18.15 ± 0.02 Å
• α: 90°
• β: 92.26 ± 0.02°
• γ: 90°
• Cell volume: 1102 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.102
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No