CRYSTAL STRUCTURE OF 1-(4-CHLOROPHENYL)-3-{4-[2-(5-ETHYL-PYRIDIN-2-YL)-ETHOXY]-PHENYL}-PROPENONE

The title compound C24H22ClNO2 belongs to the orthorhombic system, space group Pca21 with a = 12.1771(10) ?, b = 4.9305(4) ?, c = 34.419(3) ?, a = b = g = 90°, V = 2066.5(3) ?3, Z = 4, Dc = 1.260 g/cm3, F(000) = 824, R = 0.0402 and wR = 0.1144, S = 1.034, T = 293 K. The compound is a chalcone with 4-chlorophenyl and [(5-ethyl-pyridin-2-yl)-ethoxy]-phenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The propenone bridge makes dihedral angles of 10.61(23)° and 62.75(22)° respectively, with 4-chlorophenyl and the [(5-ethyl-pyridin-2-yl)-ethoxy]-phenyl group.

Авторы

Kayalvizhi M.

Тэги

chalcones propenone chlorophenyl pyridine ring

Тематические рубрики

Прикладные науки. Медицина. Технология

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Квантово-химическое исследование алкоксипроизводных трехкоординированного алюминия Квантово-химическое исследование алкоксипроизводных трехкоординированного алюминия, кристаллическая структура бис-изоникотиноилгидразона 2,5-диформилпиррола, ...

Резюме по документу**

A vast number of naturally occurring chalcones are polyhydroxylated in the aryl rings. <...> The radical quenching properties of the phenolic groups present in many chalcones have raised interest in using the compounds or chalcone-rich plant extracts as drugs or food preservatives. <...> Chalcones are also finding application as organic compounds reported to have NLO properties; chalcone derivatives are a recognized material because of their excellent blue light transmittance and good crystallization ability. <...> Owing to the importance of these flavonoid analogs, we report here the crystal structure of the title chalcone derivative. <...> The pyridine ring system and the benzene ring are oriented at a dihedral angle of 83.42(10)ē. <...> The ethyl group is equatorially substituted to the pyridine ring. <...>

** - вычисляется автоматически, возможны погрешности

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CRYSTAL STRUCTURE OF 1-(4-CHLOROPHENYL)-3-{4-[2-(5-ETHYL-PYRIDIN-2-YL)-ETHOXY]-PHENYL}-PROPENONE

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