Information card for entry 2238328

Structure parameters

• Common name: N,N'-bis(2-diazoacetyl)piperazine
• Chemical name: 1,4-Bis(2-diazoacetyl)piperazine
• Formula: C8 H10 N6 O2
• Calculated formula: C8 H10 N6 O2
• SMILES: N#N=CC(N1CCN(CC1)C(C=N#N)=O)=O
• Title of publication: 1,4-Bis(2-diazoacetyl)piperazine
• Authors of publication: Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1241
• a: 4.063 ± 0.0007 Å
• b: 9.0941 ± 0.0015 Å
• c: 13.23 ± 0.002 Å
• α: 90°
• β: 94.453 ± 0.002°
• γ: 90°
• Cell volume: 487.36 ± 0.14 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes