Information card for entry 2313062

Structure parameters

• Chemical name: 5-Bromo-1,3,4-thiadiazol-2-amine
• Formula: C2 H2 Br N3 S
• Calculated formula: C2 H2 Br N3 S
• Title of publication: Crystal structure and Hirshfeld surface analysis of 5-bromo-1,3,4-thia-diazol-2-amine.
• Authors of publication: Torambetov, Batirbay; Djiemuratov, Miyribek; Rasulov, Abdusamat; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta; Hasanov, Khudayar I.; Jamalov, Punhan J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 732 - 737
• a: 12.1005 ± 0.0013 Å
• b: 4.0336 ± 0.0005 Å
• c: 10.8832 ± 0.0014 Å
• α: 90°
• β: 94.682 ± 0.011°
• γ: 90°
• Cell volume: 529.42 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No