Information card for entry 2102695

Structure parameters

• Chemical name: piperazine
• Formula: C4 H10 N2
• Calculated formula: C4 H10 N2
• SMILES: N1CCNCC1
• Title of publication: Analysis of structures with saturated hydrogen bonding
• Authors of publication: Loehlin, James H.; Okasako, Elizabeth L. N.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: 132 - 141
• a: 6.0817 ± 0.0012 Å
• b: 5.2501 ± 0.0004 Å
• c: 8.4646 ± 0.0014 Å
• α: 90°
• β: 108.207 ± 0.014°
• γ: 90°
• Cell volume: 256.74 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0478
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0373
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes