Information card for entry 7214448

Structure parameters

• Chemical name: 8-Hydroxyquinolinium picrate
• Formula: C15 H10 N4 O8
• Calculated formula: C15 H10 N4 O8
• SMILES: [nH+]1cccc2cccc(c12)O.[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts
• Authors of publication: Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 4508
• a: 8.259 ± 0.002 Å
• b: 9.243 ± 0.002 Å
• c: 19.849 ± 0.005 Å
• α: 90°
• β: 91.282 ± 0.004°
• γ: 90°
• Cell volume: 1514.9 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1331
• 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