Information card for entry 4020582

Structure parameters

• Formula: C12 H8 Br2 N2 O2
• Calculated formula: C12 H8 Br2 N2 O2
• SMILES: N(=O)(c1ccc(Br)cc1)=N(=O)c1ccc(Br)cc1
• Title of publication: Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts
• Authors of publication: Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8461 - 8467
• a: 12.763 ± 0.002 Å
• b: 3.8089 ± 0.0007 Å
• c: 12.881 ± 0.002 Å
• α: 90°
• β: 104.416 ± 0.018°
• γ: 90°
• Cell volume: 606.48 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No