Information card for entry 2206310

Structure parameters

• Chemical name: N,N'-Bis(4-pyridylformyl)piperazine
• Formula: C16 H16 N4 O2
• Calculated formula: C16 H16 N4 O2
• SMILES: O=C(c1ccncc1)N1CCN(CC1)C(=O)c1ccncc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-pyridylformyl)piperazine
• Authors of publication: Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Shu-Sheng Zhang; Hong Xu; Ping-Kai Ouyang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o1981 - o1982
• a: 9.206 ± 0.003 Å
• b: 8.282 ± 0.003 Å
• c: 11.347 ± 0.003 Å
• α: 90°
• β: 123.255 ± 0.017°
• γ: 90°
• Cell volume: 723.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes