Synthesis, Crystal Structure and Conformational Studies of Schiff-Base Compound 2-{[4-(Phenyldiazenyl)Phenyl]Iminomethyl}-5-Bromophenol |
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| Authors: | Aliakbar Dehno Khalaji Karla Fejfarova Michal Dusek Alireza Najafi Chermahini |
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| Affiliation: | (1) Department of Chemistry, Faculty of Science, Golestan University, Gorgan, Iran;(2) Institute of Physics of the ASCR, v.v.i., Na Slovance 2, 182 21 Prague 8, Czech Republic;(3) Department of Chemistry, Yasouj University, Yasouj, Iran |
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| Abstract: | Abstract Schiff-base compound 2-{[4-(Phenyldiazenyl)phenyl]iminomethyl}-5-bromo phenol (1), containing an azo group was synthesized from the reaction of p-aminoazobenzene with 5-bromosalicylaldehyde and characterized by elemental analyses, FT-IR spectroscopy and X-ray single-crystal diffraction analysis. Molecular orbital calculation has been carried out using density functional method (B3LYP) at 6-31G basis set. Compound 1 crystallizes in the orthorhombic system, space group Pca21, with a = 12.1781(2) ?, b = 4.4894(10) ?, c = 27.7841(5) ?, V = 1519.02(5) ?3, and Z = 4. Compound 1 displays a trans configuration with respect to the C=N and N=N double bonds. |
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