Synthesis, characterization, crystal structure and Hirshfeld surface analysis of 1-(4-ethoxyphenyl)-3-(4-methylphenyl) prop-2en-1-one
2017; Elsevier BV; Volume: 9-10; Linguagem: Inglês
10.1016/j.cdc.2017.06.003
ISSN2405-8300
AutoresKarthik Kumara, Mahima Jyothi, Zabiulla Zabiulla, S. Naveen, Shaukath Ara Khanum, N.K. Lokanath,
Tópico(s)Structural and Chemical Analysis of Organic and Inorganic Compounds
ResumoThe title compound 1-(4-ethoxyphenyl)-3-(4-methylphenyl) prop-2en-1-one has been synthesized, characterized by NMR, IR and mass spectral analysis, and finally the structure was confirmed by single crystal X-ray diffraction studies. The title compound C18H18O2 crystallizes in the monoclinic crystal system, in P21/c space group with unit cell parameters, a = 5.884(3) Å, b = 17.472(1) Å, c = 14.375(8) Å, β = 99.268(10)° and Z = 4. The crystal structure of the title compound exhibits intra molecular interaction of the type CH···O and the molecular structure is stabilized by short contacts (π···π and CH···π interactions). Further, the Hirshfeld surface analysis reveals the nature of molecular interactions; the fingerprint plot provides the information about the percentage contribution from each individual intermolecular contacts, and it shows that the H···H interactions has the major contribution (54.7%).
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