Information card for entry 2222926

Structure parameters

• Chemical name: 1-Isopropylideneamino-1<i>H</i>-tetrazol-5-amine
• Formula: C4 H8 N6
• Calculated formula: C4 H8 N6
• SMILES: n1nnn(N=C(C)C)c1N
• Title of publication: 1-Isopropylideneamino-1<i>H</i>-tetrazol-5-amine
• 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: o1760
• a: 7.488 ± 0.002 Å
• b: 7.4238 ± 0.0019 Å
• c: 11.997 ± 0.003 Å
• α: 90°
• β: 97.145 ± 0.003°
• γ: 90°
• Cell volume: 661.7 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes