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The Interplay of Aryl–Perfluoroaryl Stacking Interactions and Interstack Hydrogen Bonding in Controlling the Structure of a Molecular Cocrystal
Author(s) -
Meejoo Siwaporn,
Kariuki Benson M.,
Harris Kenneth D. M.
Publication year - 2003
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200300762
Subject(s) - cocrystal , stacking , hydrogen bond , crystallography , neutron diffraction , chemistry , molecule , aryl , hydrogen , group (periodic table) , crystal structure , organic chemistry , alkyl
Stacks of molecules : Structural properties of a 1:1 cocrystal formed between phenol and pentafluorophenol have been investigated by powder neutron diffraction. There are three crystallographically independent stacks which engage in interstack OH⋅⋅⋅O hydrogen bonds to form a hydrogen‐bonded loop involving six OH groups (see picture). The H atom of each OH group is disordered between two positions, corresponding to two different hydrogen‐bonding arrangements within the loop.