Information card for entry 7223345

Structure parameters

• Formula: C10 H9 N3 O4
• Calculated formula: C10 H9 N3 O4
• SMILES: O/N=C/c1cc[nH+]c2ccccc12.O=N(=O)[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: 7.9402 ± 0.0007 Å
• b: 8.1717 ± 0.0008 Å
• c: 8.8975 ± 0.0008 Å
• α: 70.343 ± 0.006°
• β: 89.333 ± 0.006°
• γ: 72.343 ± 0.006°
• Cell volume: 515.42 ± 0.09 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: 0.0371
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No