[PDF] Top 20 Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E) 3 (4 fluorophenyl) 1 (4 nitrophenyl)prop 2 en 1 one
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Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E) 3 (4 fluorophenyl) 1 (4 nitrophenyl)prop 2 en 1 one
... 4-Nitroacetophenone (1.65 g, 0.01 mol) and 4-fluoro- benzaldehyde (1.24 g, 0.01 mol) were dissolved in methanol (20 ml). A catalytic amount of NaOH was added to the solu- tion dropwise with vigorous ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 1 (3,5 dichloro 2 hydroxyphenyl) 3 (5 methylfuran 2 yl)prop 2 en 1 one
... the crystal structure of (E)-1-(3,5- dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en- ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 3 (2 chloro 4 fluorophenyl) 1 (2,5 dichlorothiophen 3 yl)prop 2 en 1 one
... Natural products are important sources in the search for new agents for cancer therapies with minimal side effects. Chal- cones, considered to be the precursor of flavonoids and isoflavonoids, are abundant in edible ... See full document
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(E) 1 (Anthracen 9 yl) 3 (2 chloro 6 fluorophenyl)prop 2 en 1 one: crystal structure and Hirshfeld surface analysis
... The biological properties of chalcone derivatives such as anticancer (Bhat et al., 2005), antimalarial (Xue et al., 2004), anti-oxidant and antimicrobial (Yayli et al., 2006), antiplatelet (Zhao et al., 2005) as ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 3 (2 chloro 6 fluorophenyl) 1 (3 fluoro 4 methoxyphenyl)prop 2 en 1 one
... Chalcone derivatives possess a wide range of biological properties such as antibacterial (Jarag et al., 2011), anti- inflammatory (Mukherjee et al., 2001) and anti-oxidant (Arty et al., 2000) activities. As part ... See full document
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Crystal structure, Hirshfeld surface analysis and DFT studies of (E) 1 (4 bromophenyl) 3 (3 fluorophenyl)prop 2 en 1 one
... 2015). Chalcone derivatives have attracted significant interest in the field of non-linear optics due to their excellent blue-light transmittance, good crystal stability, large non- linear optical ... See full document
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Crystal structure and Hirshfeld surface analysis of (2E) 1 (3 bromophenyl) 3 (4 fluorophenyl)prop 2 en 1 one
... a 4-fluorophenyl ring linked via a prop-2-en-1-one ...The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of ...an E configuration about the C C ... See full document
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Crystal structure and optical properties of fused ring chalcone (E) 3 (anthracen 9 yl) 1 (4 nitrophenyl)prop 2 en 1 one
... by Hirshfeld surface analysis. The molecular structure was optimized and a small HOMO–LUMO energy gap of ...UV–vis analysis. The crystal used was a two-component merohedral twin ... See full document
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Crystal structure and Hirshfeld surface analysis of (2E) 3 (2,4 dichlorophenyl) 1 (2,5 dichlorothiophen 3 yl)prop 2 en 1 one
... (2E)- 1-(5-chlorothiophen-2-yl)-3-(4-ethylphenyl)prop-2-en-1-one [(I); Naik et ...ethylphenyl)prop- 2-en-1-one ... See full document
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Crystal structure of the chalcone (E) 3 (furan 2 yl) 1 phenylprop 2 en 1 one
... the crystal structure of an (E)-3- (4-hydroxyphenyl)-1-(4-methoxyphenyl)-prop-2-en-1-one derivative, when observing the analogous ... See full document
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Crystal structure of (2E) 3 [4 (dimethylamino)phenyl] 1 (thiophen 2 yl)prop 2 en 1 one
... the Hirshfeld surface ...the crystal structure are the H H ...The crystal packing resembles a herringbone arrangement when viewed along ...The crystal structure was ... See full document
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(2E) 3 (Biphenyl 4 yl) 1 (4 methoxyphenyl)prop 2 en 1 one
... properties, chalcone derivatives are notable materials for their excellent blue-light transmittance and good ...the crystal structure of a newly synthesized chalcone, (I), which was ... See full document
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Crystal structure and Hirshfeld surface analysis of 1 (4 bromophenyl) 2 {[5 (pyridin 3 yl) 1,3,4 oxadiazol 2 yl]sulfanyl}ethan 1 one
... and 2-{5-[(1H-1,2,4-triazol-1-yl)-methyl]-1,3,4-oxadiazol-2-ylthio}- 1-(2,4-dichlorophenyl)ethanone (III) (Xu et ...the crystal of (II), the molecules are linked into a ... See full document
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Molecular structure, DFT studies and UV–Vis absorption of two new linear fused ring chalcones: (E) 1 (anthracen 9 yl) 3 (2 methoxyphenyl)prop 2 en 1 one and (E) 1 (anthracen 9 yl) 3 (3 fluoro 4 methoxyphenyl)prop 2 en 1 one
... the crystal structures of both ...molecular structure were optimized using density functional theory (DFT) calculations at the B3LYP/6– 311++G(d,p) level, showing a good correlation with the experimental ... See full document
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Crystal structure and Hirshfeld surface analysis of 1 {[2 oxo 3 (prop 1 en 2 yl) 2,3 dihydro 1H 1,3 benzodiazol 1 yl]methyl} 3 (prop 1 en 2 yl) 2,3 dihydro 1H 1,3 benzodiazol 2 one
... acceptors in the dominant C—H O hydrogen bonds; they also appear as blue and red regions corresponding to positive and negative potentials on the HS mapped over electrostatic potential (Spackman et al., 2008; Jayatilaka ... See full document
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(E) 1 ([1,1′ Biphenyl] 4 yl) 3 (2 methylphenyl)prop 2 en 1 one
... generation, chalcone derivatives have excellent blue light transmittance and good cyrstallizability (Sarojini et ... See full document
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The chalcone derivative (E) 1 (4 fluorophenyl) 3 (4 hydroxy 3 methoxyphenyl)prop 2 en 1 one monohydrate
... solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 3 (2 chlorophenyl) 1 (2,5 dichlorothiophen 3 yl)prop 2 en 1 one
... and one intramolecular C—H O contact, forming S(5)S(5)S(6) ring ...the crystal, the molecules are linked along the a-axis direction through van der Waals forces and along the b axis by face-to-face ... See full document
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(2Z) 3 Hydroxy 1 (pyridin 2 yl) 3 (pyridin 3 yl)prop 2 en 1 one: crystal structure and Hirshfeld surface analysis
... The -diketonates of virtually all metals are known (Lamprey, 1960) because of the stability of the resulting six-membered metallocycle formed from bidentate coordination through the two oxygen atoms and the ability of ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 3 (3 iodophenyl) 1 (4 iodophenyl)prop 2 en 1 one
... 2010), 1-(4-bromo- phenyl)-3-(4-chlorophenyl)prop-2-en-1-one (LEPYIP; Yang et ...and ... See full document
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