Crystal and Molecular Structure of 1-Cyano, 4(Trans-1′, N-Pentyl-Cyclohexyl-4′-Carboxy)-Benzene,ECH-5 |
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Authors: | I. H. Ibrahim A. I. El-Shora A. M. Abdeen N. F. Aly |
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Abstract: | The crystals of ECH-5 belong to the triclinic system, the space group is P1 with two molecules in the unit cell. The lattice dimensions are a = 9.153(2), b = 16.848(3), c = 5.770(4) Å, α = 97.26(5), β = 93.68(4), γ = 93.07(2)°. The structure was solved by direct methods and was refined using block diagonal least squares method to a final value of R0 = 0.083 for 1787 observed reflections. The cyclohexane ring is chair. Torsion angles calculations showed that the middle part of the molecule is bent. The molecules are packed in head to tail manner, and they are arranged nearly parallel to each other. |
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