Synthesis, crystal structure and Hirshfeld analysis of triphenylphosphine–(4‐bromophenyl)borane

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 78; no. 11; pp. 681 - 684
• Main Authors: Allen, Caleb J, Olden, Alex M, Yates, James L, Wheeler, Kraig A, Abbey, Eric R
• Format: Journal Article
• Language: English
• Published: Chester Wiley Subscription Services, Inc 01.11.2022
• Subjects: Atomic properties; Boranes; Boron; Crystal structure; Phosphorus
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S2053229622010002

The title compound, alternatively called (4‐bromophenyl)dihydrido(triphenylphosphanyl)boron, C24H21BBrP, crystallizes in the space group P with one symmetry‐independent molecule in the asymmetric unit. The B and P atoms both adopt the expected tetrahedral geometry. A possible intramolecular B—Hδ−…δ+H—C dihydrogen bond exists between an arene group on phosphorus and the borane center. In the solid state, the title molecule is connected to its neighbors by intermolecular C—H…π interactions, with the arene rings on the P atom acting as hydrogen‐bond donors and the arene ring of the borane acting as the acceptor. Hirshfeld analysis supports the existence of these interactions, as well as weak Br…Br interactions between neighboring molecules.