Information card for entry 7213378

Structure parameters

• Formula: C10 H8 N4 O2
• Calculated formula: C10 H8 N4 O2
• SMILES: N(=O)(=N(=O)c1ncccc1)c1ncccc1
• Title of publication: The solid- and solution-state structures of 2-nitrosopyridine and its 3- and 4-methyl derivatives
• Authors of publication: Gowenlock, Brian G.; Maidment, Mark J.; Orrell, Keith G.; Šik, Vladimir; Mele, Giuseppe; Vasapollo, Giuseppe; Hursthouse, Michael B.; Abdul Malik, K. M.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 2280
• a: 6.231 ± 0.002 Å
• b: 8.198 ± 0.003 Å
• c: 10.3 ± 0.004 Å
• α: 99.17 ± 0.03°
• β: 95.29 ± 0.04°
• γ: 106.63 ± 0.016°
• Cell volume: 492.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections: 0.126
• Weighted residual factors for significantly intense reflections: 0.1203
• Goodness-of-fit parameter for all reflections: 0.775
• Goodness-of-fit parameter for significantly intense reflections: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No