Information card for entry 2222930

Structure parameters

• Chemical name: <i>N</i>-(1-Diacetylamino-1<i>H</i>-tetrazol-5-yl)acetamide
• Formula: C7 H10 N6 O3
• Calculated formula: C7 H10 N6 O3
• SMILES: O=C(Nc1nnnn1N(C(=O)C)C(=O)C)C
• Title of publication: <i>N</i>-(1-Diacetylamino-1<i>H</i>-tetrazol-5-yl)acetamide
• Authors of publication: He, Chun-Lin; Du, Zhi-Ming; Tang, Zheng-Qiang; Cong, Xiao-Min; Meng, Ling-Qiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1902
• a: 6.973 ± 0.002 Å
• b: 16.678 ± 0.005 Å
• c: 8.871 ± 0.003 Å
• α: 90°
• β: 106.987 ± 0.004°
• γ: 90°
• Cell volume: 986.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes