cg3013427_si_001.cif (14.85 kB)
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4‑N,N‑dimethylaminophenyl)methane
datasetposted on 2012-12-05, 00:00 authored by Bhaskar Nath, Jubaraj B. Baruah
The 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).