Information card for entry 4020201

Structure parameters

• Formula: C10 H7 Br N2 O2
• Calculated formula: C10 H7 Br N2 O2
• SMILES: Brc1ccc(NN=C2C=CC(=O)O2)cc1
• Authors of publication: N. R. Conley; R. J. Hung; C. G. Willson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4553 - 4555
• a: 5.9611 ± 0.0002 Å
• b: 7.5339 ± 0.0002 Å
• c: 11.4495 ± 0.0004 Å
• α: 76.697 ± 0.002°
• β: 77.861 ± 0.002°
• γ: 85.168 ± 0.002°
• Cell volume: 488.87 ± 0.03 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No