Information card for entry 2012268

Structure parameters

• Chemical name: 2-amino-5-ethyl-1,3,4-thiadiazole
• Formula: C4 H7 N3 S
• Calculated formula: C4 H7 N3 S
• SMILES: s1c(N)nnc1CC
• 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: 7.2752 ± 0.0003 Å
• b: 10.7294 ± 0.0004 Å
• c: 15.4991 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1209.84 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• 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: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes