Information card for entry 7154771

Structure parameters

• Formula: C12 H16 N2 O2
• Calculated formula: C12 H16 N2 O2
• SMILES: c1(ccccc1)/C(=N/O)C(=O)NC(C)(C)C
• Title of publication: Phosphinic acid-promoted addition reaction of isocyanides to (Z)-hydroximoyl chlorides: efficient synthesis of α-(hydroxyimino)amides.
• Authors of publication: Soeta, Takahiro; Takashita, Suguru; Sakata, Yoko; Ukaji, Yutaka
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 694 - 700
• a: 10.604 ± 0.002 Å
• b: 10.844 ± 0.002 Å
• c: 11.111 ± 0.003 Å
• α: 90°
• β: 100.939 ± 0.005°
• γ: 90°
• Cell volume: 1254.4 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No