Information card for entry 2012267

Structure parameters

• Chemical name: 2-amino-5-methyl-1,3,4-thiadiazole
• Formula: C3 H5 N3 S
• Calculated formula: C3 H5 N3 S
• SMILES: s1c(N)nnc1C
• Title of publication: 2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole
• Authors of publication: Lynch, Daniel E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1201 - 1203
• a: 8.5116 ± 0.0017 Å
• b: 6.569 ± 0.0013 Å
• c: 10.243 ± 0.002 Å
• α: 90°
• β: 109.36 ± 0.03°
• γ: 90°
• Cell volume: 540.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes