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Updated: May 22, 2026

Qualitative Identification of Carboxylic Acids, Boronic Acids, and Amines Using Cruciform Fluorophores
Published on: August 19, 2013
Analysis of geometric parameters and packing considerations for triphenylboroxine derivatives, with
Jan Tillmann1, Hans-Wolfram Lerner, Tanja Sinke
1Institut für Anorganische und Analytische Chemie, Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt am Main, Germany.
Abstract:
Molecules of the title compound [systematic name: 2,4,6-(pentafluorophenyl)-1,3,5,2,4,6-trioxatriborinane], C(18)B(3)F(15)O(3), are located on crystallographic twofold rotation axes which run through the boroxine and one of the pentafluorophenyl rings. The boroxine ring (r.m.s. deviation = 0.027 Å) and the pentafluorophenyl rings (r.m.s. deviations = 0.004 and 0.001 Å) are essentially planar. The dihedral angles between the boroxine and the two symmetry-independent benzene rings are 8.64 (10) and 8.74 (12)°. The two benzene rings are mutually coparallel [dihedral angle = 0.80 (11)°]. The packing shows planes of molecules parallel to ( ̅201), with an interplanar spacing of 2.99 Å. Within these planes, all the molecules are oriented in the same direction, whereas in neighbouring planes the direction is inverted. Short B···F contacts of 3.040 (2) and 3.1624 (12) Å occur between planes. The geometric parameters of the boroxine ring in the title compound agree well with those of comparable boroxine structures, while the packing reveals some striking similarities and differences.
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