Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 2 (February 2013)

organic compounds

Acta Cryst. (2013). C69, 183-185    [ doi:10.1107/S0108270113000681 ]


E. A. Sarina, M. M. Olmstead, D. N. Nguyen and M. P. Groziak

Abstract: The structure of the title compound, C7H6BNO3, a new boron heterocycle, prepared by the condensation of (2-eth­oxy­carbonyl­phen­yl)boronic acid and hydroxyl­amine, reveals the specific mode of intra­molecular condensation between a phenyl­boronic acid and an ortho hydroxamic acid substituent. The crystal structure shows that dehydration occurs to form a planar oxaza­borinine ring possessing both phenol-like B-O-H and lactam functional groups. In the extended structure, inter­molecular hydrogen bonding generates a 14-membered ring. To our knowledge, this is the first crystal structure determination involving a six-membered ring that exhibits consecutive B-OH, O, NH, and C=O functional groups.

Formula: C7H6BNO3

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[ doi:10.1107/S0108270113000681/fa3302Isup3.cdx ]
Supplementary material

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Chemical Markup Language (CML) file (3.2 kbytes)
[ doi:10.1107/S0108270113000681/fa3302Isup4.cml ]
Supplementary material


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