Information card for entry 4020200

Structure parameters

• Formula: C10 H7 Br N2 O2
• Calculated formula: C10 H7 Br N2 O2
• SMILES: Brc1ccc(NN2C(=O)C=CC2=O)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: 11.5904 ± 0.0004 Å
• b: 5.7419 ± 0.0002 Å
• c: 16.1679 ± 0.0007 Å
• α: 90°
• β: 106.644 ± 0.0013°
• γ: 90°
• Cell volume: 1030.91 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No