Information card for entry 7150481

Structure parameters

• Common name: NPIP
• Chemical name: 2-Piperidine-3,5-dinitropyridine
• Formula: C10 H12 N4 O4
• Calculated formula: C10 H12 N4 O4
• SMILES: O=N(=O)c1cnc(N2CCCCC2)c(N(=O)=O)c1
• Title of publication: Kinetic and equilibrium studies of σ-adduct formation and nucleophilic substitution in the reactions of 2-phenoxy-3,5-dinitropyridine and 2-ethoxy-3,5-dinitropyridine with aliphatic amines in dipolar aprotic solventsElectronic supplementary information (ESI) available: Tables 10‒15. See http://www.rsc.org/suppdata/ob/b2/b211639c/
• Authors of publication: Crampton, Michael R.; Emokpae, Thomas A.; Howard, Judith A. K.; Isanbor, Chukwuemeka; Mondal, Raju
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 1004
• a: 5.9847 ± 0.0012 Å
• b: 7.3833 ± 0.0015 Å
• c: 12.375 ± 0.003 Å
• α: 94.29 ± 0.03°
• β: 95.28 ± 0.03°
• γ: 91.8 ± 0.03°
• Cell volume: 542.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No