Information card for entry 2008559

Structure parameters

• Formula: C2 H4 N4
• Calculated formula: C2 H4 N4
• SMILES: [nH]1c(C)nnn1
• Title of publication: 5-Methyl-1<i>H</i>-tetrazole
• Authors of publication: Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1014 - 1016
• a: 4.586 ± 0.002 Å
• b: 12.843 ± 0.004 Å
• c: 9.767 ± 0.001 Å
• α: 90°
• β: 133.98 ± 0.02°
• γ: 90°
• Cell volume: 413.9 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.859
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No