Information card for entry 4304453

Structure parameters

• Formula: C15 H15 N5 O2
• Calculated formula: C15 H15 N5 O2
• SMILES: O=N(=O)\C(=N/Nc1ccc(cc1)C)N=Nc1ccc(cc1)C
• Title of publication: Synthesis and Characterization of 3-Cyano- and 3-Nitroformazans, Nitrogen-Rich Analogues of β-Diketimine Ligands
• Authors of publication: Joe B. Gilroy; Peter O. Otieno; Michael J. Ferguson; Robert McDonald; Robin G. Hicks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1279 - 1286
• a: 7.2118 ± 0.001 Å
• b: 9.8215 ± 0.0014 Å
• c: 11.7772 ± 0.0016 Å
• α: 110.419 ± 0.002°
• β: 96.245 ± 0.002°
• γ: 105.752 ± 0.002°
• Cell volume: 733.01 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No