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Methyl 2-(5,5-dimethyl-1,3,2-dioxa­borinan-2-yl)-4-nitro­benzoate

The six-membered boronate ester ring of the title compound, C(13)H(16)BNO(6), adopts an envelope conformation with the C atom bearing the dimethyl substituents at the flap. The O—B—C—C torsion angles between the boronate group and the benzene ring are 72.5 (2) and 81.0 (2)°. The 4-nitro­benzoate uni...

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Detalles Bibliográficos
Autores principales: Jenkinson, S. F., Thompson, A. L., Simone, M. I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414346/
https://www.ncbi.nlm.nih.gov/pubmed/22904879
http://dx.doi.org/10.1107/S1600536812029650
Descripción
Sumario:The six-membered boronate ester ring of the title compound, C(13)H(16)BNO(6), adopts an envelope conformation with the C atom bearing the dimethyl substituents at the flap. The O—B—C—C torsion angles between the boronate group and the benzene ring are 72.5 (2) and 81.0 (2)°. The 4-nitro­benzoate unit adopts a slightly twisted conformation, with dihedral angles between the benzene ring and the nitrate and methyl ester groups of 17.5 (2) and 14.4 (3)°, respectively. In the crystal, inversion-related pairs of mol­ecules show weak π–π stacking inter­actions [centroid–centroid distance = 4.0585 (9) Å and inter­planar spacing = 3.6254 (7) Å].