Information card for entry 7214446

Structure parameters

• Chemical name: Piperidinium picrate mono-piperidine solvate
• Formula: C16 H25 N5 O7
• Calculated formula: C16 H25 N5 O7
• SMILES: N1CCCCC1.[NH2+]1CCCCC1.[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: 6.5862 ± 0.0005 Å
• b: 16.8945 ± 0.0013 Å
• c: 17.1437 ± 0.0014 Å
• α: 90°
• β: 99.306 ± 0.002°
• γ: 90°
• Cell volume: 1882.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1057
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No