Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives
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چکیده
منابع مشابه
Microwave assisted synthesis of [4, 5-e] [1, 3, 4]thia- diazin-7-yl] hydrazine Derivatives
New pyrimido [4, 5-e] [1, 3, 4]thia- diazin-7-yl] hydrazines were synthesized via the cyclocondensation of alkyl-2-phenylhydrazinecarbodithioates as a binucleophile with 5-bromo-2,4-dichloro-6-methylpyrimidine as a bielectrophile , and replacement of C-7 chloro atom by hydrazine in ethanol as the solvent . This method has advantages over methods currently described in the literature for the con...
متن کاملCrystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate
The title compound, C20H27ClN2O3, was obtained via an original synthesis method. The central heterocyclic ring adopts a shallow envelope conformation, with the N atom bearing the cyclo-pentane ring as the flap [deviation from the other atoms = 0.442 (2) Å]. The cyclo-pentane ring adopts a twisted conformation about one of the CN-C bonds: the exocyclic C-N bond adopts an equatorial orientation. ...
متن کاملSynthesis, Characterization and Crystal structure of Chiral Schiff base compound (E)-3, 4-Dimethoxy [(1-phenylethyl) iminomethyl] benzyne
The crystal structure of the title chiral Schiff base compound (E)-3,4-dimethoxy[(1-phenylethyl)iminomethyl]bezyne (1) was determined by single-crystal X-ray diffraction data. The title compound was further characterized by elemental analyses (CHN), FT-IR, 1H-NMR and UV-Vis spectroscopic techniques. It crystallizes in the monoclinic space group P21 with unit cell parameters: a = 19.0121 (2), b...
متن کاملCrystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (E)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (E)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (E)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
The crystal structures of three chalcones with a bromo-substituted but-oxy side chain, viz. (E)-1-[4-(4-bromo-but-oxy)-phen-yl]-3-phenyl-prop-2-en-1-one, C19H19BrO2, (I), (E)-1-[4-(4-bromo-but-oxy)-phen-yl]-3-(4-meth-oxy-phen-yl)prop-2-en-1-one, C20H21BrO3, (II), and (E)-1-[4-(4-bromo-but-oxy)-phen-yl]-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one, C21H23BrO4, (III), are reported. In all mol-ecule...
متن کامل2-[(E)-1-(4-Methoxyphenyl)pent-1-en-3-ylidene]malononitrile
In the title compound, C(15)H(14)N(2)O, the mol-ecule skeleton displays an approximately planar structure except for the ethyl group [maximum deviation = 0.042 (1) Å]. The meth-oxy-phenyl ring and butanylidenemalononitrile groups are located on opposite sides of the C=C bond, showing an E configuration. Weak inter-molecular C-H⋯N hydrogen bonding is present in the crystal structure.
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2004
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp0351829