Information card for entry 8102108

Structure parameters

• Formula: C3 H5 N3 O
• Calculated formula: C1.5 H2.5 N1.5 O0.5
• Title of publication: Crystal structure of 2-amino-5-methyl-1,3,4-oxadiazole, (CH~3~)C~2~N~2~O (NH~2~)
• Authors of publication: Irrgang, T.; Friedrich, D.; Clemente, R.; Kutlescha, K.; Glatz, G.; Kempe, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 2
• Pages of publication: 151 - 152
• a: 6.002 ± 0.0009 Å
• b: 6.357 ± 0.0011 Å
• c: 12.288 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 468.85 ± 0.13 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No