Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 2 (February 2013)


organic compounds



fa3302 scheme

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

1-Hydroxy-1H-benzo[d][1,2,6]oxazaborinin-4(3H)-one

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


cdxdisplay filedownload file

Chemdraw file (2.2 kbytes)
[ doi:10.1107/S0108270113000681/fa3302Isup3.cdx ]
Supplementary material


cmldisplay filedownload file

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


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