Information card for entry 4037205

Structure parameters

• Formula: C14 H18 N4 O3
• Calculated formula: C14 H18 N4 O3
• SMILES: c1ccccc1N1C(=O)C(C(=N1)C)(C)N(C(=O)N(C)C)O
• Title of publication: Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.
• Authors of publication: Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 9138 - 9146
• a: 10.805 ± 0.0003 Å
• b: 11.4659 ± 0.0003 Å
• c: 13.3709 ± 0.0004 Å
• α: 111.885 ± 0.003°
• β: 90.695 ± 0.002°
• γ: 93.75 ± 0.002°
• Cell volume: 1532.65 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No