The “boat” Conformation of a Resorcin[4]arene Self-assembles as a “T-shaped” Building Block in the Solid State to Form a Linear ID Hydrogen-bonded Array

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Abstract
Co-crystallization of C-methylcalix[4]resorcinarene 1 with 4-benzylpyridine (4-bzylpy) results in the formation of a linear 1D hydrogen-bonded array, 1–4(4-bzylpy) 2, in which the boat conformation of 1, in the form of an eightfold hydrogen bond donor, serves as a “T-shaped” building block in the solid state. Crystal data for 2: triclinic, space group P1, a=14.992(1), b=16.256(1), c=16.365(1)Å, α=108.065 (1), β=96.140(1), γ=116.260(1)°, U=3258.1(3)Å3, Dc=1.25 g cm−3, Mo-Kα radiation (λ=0.71070 Å) for Z=2. Least-squares refinement based on 6045 reflections with Inet > 2.0°(Inet) (out of 8151 unique reflections) led to a final value of R = 0.048.