Information card for entry 7051487

Structure parameters

• Formula: C10 H8 Br N3 O
• Calculated formula: C10 H8 Br N3 O
• SMILES: Brc1c(N\N=C(C(=O)C)\C#N)cccc1
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 11.263 ± 0.002 Å
• b: 6.863 ± 0.002 Å
• c: 14.267 ± 0.002 Å
• α: 90°
• β: 94.01 ± 0.01°
• γ: 90°
• Cell volume: 1100.1 ± 0.4 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No