Information card for entry 2102303

Structure parameters

• Formula: C4 H10 N2
• Calculated formula: C4 H10 N2
• SMILES: N1CCNCC1
• Title of publication: Structures of piperazine, piperidine and morpholine
• Authors of publication: Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 219 - 227
• a: 6.0079 ± 0.0015 Å
• b: 5.192 ± 0.0013 Å
• c: 8.407 ± 0.002 Å
• α: 90°
• β: 108.254 ± 0.004°
• γ: 90°
• Cell volume: 249.04 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9357
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes