Abstract
In the title compound, [Ag(CF3SO3)(C8H10N4O2)2(H2O)], the AgI atom is coordinated by two caffeine N atoms and, at longer distances, two O atoms of a coordinated water molecule and the trifluoromethanesulfonate anion, resulting in an AgN2O2 seesaw geometry. The caffeine molecules are roughly coplanar [dihedral angle = 5.81 (5)°]. In the crystal, molecules self-assemble into a linear supramolecular chain along the c axis via O—H⋯O hydrogen bonds involving the coordinated water moledcule and carbonyl O atoms. The packing is consolidated by weak C—H⋯O interactions.
Highlights
AgI atom is coordinated by two caffeine N atoms and, at longer distances, two O atoms of a coordinated water molecule and the trifluoromethanesulfonate anion, resulting in an
The packing is consolidated by weak C—H O interactions
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
Key indicators: single-crystal X-ray study; T = 98 K; mean (C–C) = 0.004 Å; R factor =. 0.034; wR factor = 0.092; data-to-parameter ratio = 15.0. AgI atom is coordinated by two caffeine N atoms and, at longer distances, two O atoms of a coordinated water molecule and the trifluoromethanesulfonate anion, resulting in an. The caffeine molecules are roughly coplanar [dihedral angle = 5.81 (5) ]. Molecules self-assemble into a linear supramolecular chain along the c axis via O—H O hydrogen bonds involving the coordinated water moledcule and carbonyl O atoms. The packing is consolidated by weak C—H O interactions
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