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Download fileQuasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4‑N,N‑dimethylaminophenyl)methane
dataset
posted on 2012-12-05, 00:00 authored by Bhaskar Nath, Jubaraj B. BaruahThe hydrogen-bond motifs in different solvates of bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane (Ambp)
at the O–H···O junctions of self-assembled host
molecules are analyzed. The host molecules of the solvates, namely,
Ambp.acetone (2), Ambp.dmso (3), Ambp.dma
(4), Ambp.morpholine (5), and Ambp.piperidine
(6), have one-dimensional hydrogen-bonded chainlike structures,
and they crystallize in the P21/c space group. Examination of the guest interactions at
the O–H···O junctions of the hosts revealed
that the solvent molecules in 2 and 3 bind
to the bridging O–H···O of the host molecules
through a single-point hydrogen bond. The guest 3 has
bifurcated hydrogen bonds with O–H···O bridges
of the hosts, making an R22(6) motif, whereas
in the case of 4 and 5, there are R33(7) motifs between hosts and guests at such junctions.
The N–H bond of the morpholine or piperidine molecule in 4 or 5 interacts with the aromatic ring containing
the NMe2 group to form an η3-type N–H···π
interaction. The asymmetric unit of 2Ambp.dabco.3H2O (7), has two symmetry nonequivalent Ambp molecules, whereas
Ambp.diox.H2O (8) contains two symmetry nonequivalent
dioxane molecules. The host molecules of Ambp.dbu (9)
have structural similarities to 4 or 5 in
terms of having R33(7) hydrogen-bond motifs
(where diox = dioxane, dbu = 1,8-diazabicyclo[5.4.0]undec-7-ene, and
dabco = 1,4-diazabicyclo[2.2.2]octane).