Abstract
The molecular structure of bis(pyrazol-1-yl)methane-4,4′-dicarboxylic acid (H2bpmdc) was determined by single crystal X-Ray diffraction analysis. The compound crystallizes in a monoclinic crystal system; the unit cell contains four formula units. The molecules of H2bpmdc are linked into zig-zag chains by intermolecular carboxyl–carboxyl hydrogen bonds. Other types of supramolecular interactions, namely, CH···N and CH···O short contacts, CH–π interactions and carbonyl–carbonyl interactions were detected in the crystal structure.
Highlights
Dicarboxylic acids are important supramolecular synthons for metal–organic frameworks [1,2], hydrogen-bonded networks [3], organogels [4], deep eutectic solvents [5] and other applications [6]
Dicarboxylic acids derived from bis(pyrazol-1-yl)methane have been less explored, but were successfully employed as building blocks for metal–organic frameworks with luminescent properties [10,11], gas separation capability [12], and single metal site catalysts [13,14]
We have developed a universal approach for the synthesis of a new series of bis(pyrazol-1-yl)alkane-4,40 -dicarboxylic acids starting from the commercially available pyrazole-4-carboxylic acid [15]
Summary
Dicarboxylic acids are important supramolecular synthons for metal–organic frameworks [1,2], hydrogen-bonded networks [3], organogels [4], deep eutectic solvents [5] and other applications [6]. Dicarboxylic acids derived from bis(pyrazol-1-yl)methane have been less explored, but were successfully employed as building blocks for metal–organic frameworks with luminescent properties [10,11], gas separation capability [12], and single metal site catalysts [13,14]. Taking into account the potential of these compounds as supramolecular building block, biologically active substances, monomers for polyesters and polyamides, we have studied the crystal structure and supramolecular analysis of Nheterocyclic compound titled bis(pyrazol-1-yl)methane-4,40 -dicarboxylic acid (H2 bpmdc). The neighboring molecules are involved in intermolecular hydrogen bonding via the carboxylic groups (Figure 2), the D-H distance, d(O2-H2) = 0.87(1) Å, A-H distance d(O1-H2) = 1.79(1) Å and D-H-A angle (O2-H2-O1) is 177(1)◦ .
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