0379219 - FZÚ 2013 RIV US eng J - Journal Article
Khalaji, A.D. - Fejfarová, Karla - Dušek, Michal - Chermahini, A.N.
Synthesis, crystal structure and conformational studies of Schiff-base compound 2-{[4-(Phenyldiazenyl)phenyl] iminomethyl}-5-bromophenolc.
Journal of Chemical Crystallography. Roč. 42, č. 2 (2012), s. 136-140. ISSN 1074-1542. E-ISSN 1572-8854
Grant - others:AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institutional research plan: CEZ:AV0Z10100521
Keywords : Shiff bases * crystal structure * X-ray diffraction * Jana2006
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 0.513, year: 2012 ; AIS: 0.098, rok: 2012
DOI: https://doi.org/10.1007/s10870-011-0214-4

Schiff-base compound 2-{[4-(Phenyldiazenyl)-phenyl]iminomethyl}-5-bromophenol (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) A, b = 4.4894(10) A, c = 27.7841(5) A, and Z = 4. Compound 1 displays a trans configuration with respect to the C=N and N=N double bonds.
Permanent Link: http://hdl.handle.net/11104/0210476