Information card for entry 7240888

Structure parameters

• Chemical name: N-(2-nitrosophenyl)pivalamide
• Formula: C11 H14 N2 O3
• Calculated formula: C11 H14 N2 O3
• Title of publication: ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds
• Authors of publication: Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 5.6472 ± 0.0008 Å
• b: 14.1772 ± 0.0019 Å
• c: 14.269 ± 0.0018 Å
• α: 93.043 ± 0.008°
• β: 92.475 ± 0.008°
• γ: 93.34 ± 0.008°
• Cell volume: 1137.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.11 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: 0.1361
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No