Information card for entry 2203747

Structure parameters

• Chemical name: 6-oxo-5-(5-phenyltetrazol-2-yl)piperidine-2-carboxylate
• Formula: C14 H15 N5 O3
• Calculated formula: C14 H15 N5 O3
• SMILES: N1[C@@H](CC[C@H](n2nc(nn2)c2ccccc2)C1=O)C(=O)OC.N1[C@H](CC[C@@H](n2nc(nn2)c2ccccc2)C1=O)C(=O)OC
• Title of publication: A new key intermediate in the synthesis of 6-oxopiperidine-2-carboxylate derivatives
• Authors of publication: Lenda, Fatimazohra; Guenoun, Farhate; Tasi, Bouchra; Ben larbi, Najib; Martinez, Jean; Lamaty, Frederic; Allouchi, Hassan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1038 - o1039
• a: 12.798 ± 0.0006 Å
• b: 10.8334 ± 0.0003 Å
• c: 10.9142 ± 0.0003 Å
• α: 90°
• β: 102.796 ± 0.001°
• γ: 90°
• Cell volume: 1475.63 ± 0.09 ų
• Cell temperature: 296 ± 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 significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes