Information card for entry 7155805

Structure parameters

• Chemical name: glyzide acetyl diazaborine
• Formula: C10 H12 B N3 O2
• Calculated formula: C10 H12 B N3 O2
• SMILES: O[B]12N(N=C(C)c3c2cccc3)C(=O)C[NH2]1
• Title of publication: Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids
• Authors of publication: Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.5138 ± 0.0009 Å
• b: 5.9254 ± 0.0006 Å
• c: 10.259 ± 0.0011 Å
• α: 90°
• β: 105.511 ± 0.0011°
• γ: 90°
• Cell volume: 498.69 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No