Information card for entry 2212137

Structure parameters

• Chemical name: 5-m-Tolyl-1,3,4-thiadiazol-2-ylamine
• Formula: C9 H9 N3 S
• Calculated formula: C9 H9 N3 S
• SMILES: Cc1cccc(c1)c1nnc(N)s1
• Title of publication: 5-<i>m</i>-Tolyl-1,3,4-thiadiazol-2-ylamine
• Authors of publication: Han, Feng; Wan, Rong; Wu, Wen-Yuan; Zhang, Jin-Jun; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o717 - o718
• a: 10.793 ± 0.002 Å
• b: 10.82 ± 0.002 Å
• c: 17.607 ± 0.004 Å
• α: 73.85 ± 0.03°
• β: 78.97 ± 0.03°
• γ: 73.51 ± 0.03°
• Cell volume: 1879.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes