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Supramolecular architecture in some 4-halophenylboronic acids
Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.ORCID iD: 0000-0001-7469-4197
Solid State & Supramolecular Structural Chemistry Unit, Division of Organic Chemistry, National Chemical Laboratory, Pune.
Solid State & Supramolecular Structural Chemistry Unit, Division of Organic Chemistry, National Chemical Laboratory, Pune.
2007 (English)In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 7, no 10, p. 1958-1963Article in journal (Refereed) Published
Abstract [en]

Crystal structures of 4-chloro- and 4-bromophenylboronic acids (1 and 2) and hydrates of 2 and 4-iodophenylboronic acid in two different forms (2a, 3a, and 3b), which were characterized by single-crystal X-ray diffraction methods, are reported. In structures I and 2, -B(OH)2 forms a syn-anti conformation, but it exists in syn-syn as well as anti-anti conformations in the hydrated structures 2a, 3a, and 3b. In all the structures, the molecules are held together by O-H center dot center dot center dot O interactions formed by -B(OH)2 groups. The C-H center dot center dot center dot X (X = Cl, Br, and I) interactions play an important role in crystal packing. In 2, Br center dot center dot center dot Br interactions are also observed. Interestingly, all the three hydrates form similar types of three-dimensional structures with the formation of channels, which are occupied by water molecules. The two hydrates of 4-iodophenylboronic acid (3a and 3b) are distinguishable on the basis of O center dot center dot center dot O short contacts, with an identical host lattice of the boronic acid.

Place, publisher, year, edition, pages
2007. Vol. 7, no 10, p. 1958-1963
National Category
Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
URN: urn:nbn:se:ltu:diva-15737DOI: 10.1021/cg060863pLocal ID: f49c000b-2e6d-473a-85ac-d991c321fbe2OAI: oai:DiVA.org:ltu-15737DiVA, id: diva2:988712
Note
Godkänd; 2007; 20160413 (inah)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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Shimpi, Manishkumar

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