Information card for entry 8100476

Structure parameters

• Formula: C6 H2 Br2 N2 S
• Calculated formula: C6 H2 Br2 N2 S
• SMILES: Brc1c2nsnc2c(Br)cc1
• Title of publication: Crystal structure of 4,7-dibromo-2,1,3-benzothiadiazole, C~6~H~2~Br~2~N~2~S
• Authors of publication: Tomura, Masaaki; Yamashita, Yoshiro
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 555 - 556
• a: 18.367 ± 0.0009 Å
• b: 3.9522 ± 0.0002 Å
• c: 22.1199 ± 0.0015 Å
• α: 90°
• β: 97.39 ± 0.006°
• γ: 90°
• Cell volume: 1592.35 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No