Crystal and molecular structure of phenylboronic acid, C<sub>6</sub>H<sub>5</sub>B(OH)<sub>2</sub>

DOI Web Site 被引用文献1件
  • Steven J. Rettig
    Department of Chemistry, University of British Columbia, 2075 Wesbrook Mall, Vancouver, B.C., Canada V6T 1W5
  • James Trotter
    Department of Chemistry, University of British Columbia, 2075 Wesbrook Mall, Vancouver, B.C., Canada V6T 1W5

書誌事項

公開日
1977-09-01
権利情報
  • http://www.nrcresearchpress.com/page/about/CorporateTextAndDataMining
DOI
  • 10.1139/v77-430
公開者
Canadian Science Publishing

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説明

<jats:p> Crystals of phenylboronic acid are orthorhombic, a = 17.9049(7), b = 115.3264(5), c = 9.8113(2) Å, Z = 16, space group Iba2. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to a final R of 0.031 and R<jats:sub>w</jats:sub> of 0.041 for 1409 reflections with I ≥ 3σ(I). The asymmetric unit consists of two independent molecules linked by a pair of O—H … O hydrogen bonds. Each dimeric unit is also hydrogen bonded to four other such units (at [Formula: see text]) to form an infinite array of layers which stack along the c axis. Mean bond lengths corrected for libration (rms deviations from the mean in parentheses) are: O—B, 1.371(7), B—C, 1.565(3), and C—C(phenyl), 1.394(11) Å. </jats:p>

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