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- Title
Synthesis, Characterization and Crystal Structure of (2Z)-3-[(4-Methylphenyl)amino]-1-phenylbut-2-en-1-one.
- Authors
Patil, Siddappa; Gonzalez-Flores, Diego; Medina, Phillip; Vohs, Jason; Dever, Seth; Popp, Joshua; Stentzel, Michael; Pineda, Leslie; Montero, Mavis; Fahlman, Bradley
- Abstract
The compound (2Z)-3-[(4-methylphenyl)amino]-1-phenylbut-2-en-1-one was synthesized by the condensation reaction of benzoylacetone with p-methylaniline and structurally characterized by H NMR, C NMR, IR, mass spectrometry, elemental analysis, TGA/DSC and single crystal X-ray diffraction. The title compound crystallizes in the orthorhombic space group Pccn (No. 56) with a = 17.0042(18) Å, b = 11.5826(13) Å, c = 14.0514(15) Å, V = 2767.5(5) Å and Z = 8. Data collection on 223(2) K resulted its structure with R1 = 0.0449, wR2 = 0.0980. The molecules in the unit cell are arranged in layers. The intramolecular hydrogen bonds of the type N-H···O were observed in the structure. The compound exhibits two distinct endothermic peaks at a temperature 94.70 °C and 232.60 °C corresponding to melting and boiling points respectively. Graphical Abstract: The compound (2Z)-3-[(4-methylphenyl)amino]-1-phenylbut-2-en-1-one was synthesized by the condensation reaction of benzoylacetone with p-methylaniline and structurally characterized by H NMR, C NMR, IR, mass spectrometry, elemental analysis, TGA/DSC and single crystal X-ray diffraction. The title compound crystallizes in the orthorhombic space group Pccn (No. 56) with a = 17.0042(18) Å, b = 11.5826(13) Å, c = 14.0514(15) Å, V = 2767.5(5) Å and Z = 8. Data collection on 223(2) K resulted its structure with R1 = 0.0449, wR2 = 0.0980.[Figure not available: see fulltext.]
- Subjects
CONDENSATION; CHEMICAL reactions; NUCLEAR magnetic resonance spectroscopy; X-ray diffraction; MASS spectrometry
- Publication
Journal of Chemical Crystallography, 2012, Vol 42, Issue 6, p560
- ISSN
1074-1542
- Publication type
Article
- DOI
10.1007/s10870-012-0279-8