Information card for entry 4020583

Structure parameters

• Formula: C6 H4 Br N O
• Calculated formula: C6 H4 Br N O
• SMILES: c1(ccc(cc1)Br)N=O
• 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: 6.436 ± 0.003 Å
• b: 3.8375 ± 0.0012 Å
• c: 12.878 ± 0.004 Å
• α: 90°
• β: 104.65 ± 0.03°
• γ: 90°
• Cell volume: 307.7 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No