Crystal and molecular structure of 1,4-diphenyl-2-(4,7-dimethoxy-1-naphthyl) but -2-ene-1,4-dione

P. K. Das, Anuradha Mukhopadhyay, Siddhartha Ray, Shampa Maitra and Saswati Lahiri


The title compound C28H22O4 of molecular weight 422.46 crystallizes in the monoclinic system, space group C2/c, a = 27.56(2), b = 10.340(9), c = 18.25(2) Å, β = 122.52°(7), Z = 8, V = 4385.26 Å3, F(000) = 1776.00, Dm = 1.277 gcm−3, Dx = 1.279 gcm−3, linear absorption coefficient μ = 0.48 cm−1. The crystal structure has been determined with a final agreement index R = 0.043 and Rw. = 0.059 for 2531 independent observed reflections with I > 3σ(I). X-ray studies revealed the difference in conformation of the two carbonyl groups and also confirmed the cis geometry of the molecule. The rotamer with s-cis conformation of C11 = C19 with respect to C7 = C8 is found to be the preferred one.

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.