Hydrogen atom disorder in the crystal structure of o-phenylenediacetic acid

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Lenka Krešáková
Juraj Kuchár
Juraj Černák

Abstract

H2opda (1) (o-phenylenediacetic acid) was prepared in the form of single crystals. It exhibits molecular crystal structure. The main feature of the supramolecular structure of 1 is formation of hydrogen bonded dimers via a pair of O-H×××O hydrogen bonds. The hydrogen atoms in COOH groups are disordered in 0.67(2):0.33(2) ratio. The conformation of the free acid is characterized by cis arrangement of the carboxylate groups with respect to the plane of the aromatic ring. The powder diffraction pattern of the bulk sample corroborated the phase identity of the commercial material with that of the studied single crystal.

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Research Articles
Author Biographies

Lenka Krešáková, P. J. Šafárik University in Košice

Department of Inorganic Chemistry, Institute of Chemistry, Faculty of Sciences, P. J. Šafárik University in Košice, Moyzesova 11, 04154 Košice, Slovak Republic

Juraj Kuchár, P. J. Šafárik University in Košice

Department of Inorganic Chemistry, Institute of Chemistry, Faculty of Sciences, P. J. Šafárik University in Košice, Moyzesova 11, 04154 Košice, Slovak Republic

Juraj Černák, P. J. Šafárik University in Košice

Department of Inorganic Chemistry, Institute of Chemistry, Faculty of Sciences, P. J. Šafárik University in Košice, Moyzesova 11, 04154 Košice, Slovak Republic