Clarification of anomalous chiroptical behaviour and determination of the absolute configuration of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine

E. Fogassy, Mária Ács, Gábor Tóth, Kálmán Simon, Tibor Láng, L. Ladányi, L. Párkányí

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

An optically active hydrogen bromide salt of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine has been prepared and the R5 configuration studied by single-crystal X-ray analysis. The crystals are triclinic with space group P1, with two molecules in a unit cell of dimensions a = 10.798(1), b = 12.669(1) and c = 8.681(1) Å, and α = 97.15(1), β = 99.36(1) and γ = 68.74(1)°. The anomalous chiroptical behaviour is explained on the basis of the chiral interactions between the optically active conformers.

Original languageEnglish
Pages (from-to)143-154
Number of pages12
JournalJournal of Molecular Structure
Volume147
Issue number1-2
DOIs
Publication statusPublished - 1986

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Hydrobromic Acid
X ray analysis
bromides
Salts
X-Rays
Single crystals
salts
Hydrogen
Crystals
Molecules
single crystals
hydrogen
configurations
cells
crystals
molecules
x rays
interactions
tofisopam

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Clarification of anomalous chiroptical behaviour and determination of the absolute configuration of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine. / Fogassy, E.; Ács, Mária; Tóth, Gábor; Simon, Kálmán; Láng, Tibor; Ladányi, L.; Párkányí, L.

In: Journal of Molecular Structure, Vol. 147, No. 1-2, 1986, p. 143-154.

Research output: Contribution to journalArticle

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abstract = "An optically active hydrogen bromide salt of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine has been prepared and the R5 configuration studied by single-crystal X-ray analysis. The crystals are triclinic with space group P1, with two molecules in a unit cell of dimensions a = 10.798(1), b = 12.669(1) and c = 8.681(1) {\AA}, and α = 97.15(1), β = 99.36(1) and γ = 68.74(1)°. The anomalous chiroptical behaviour is explained on the basis of the chiral interactions between the optically active conformers.",
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AU - Fogassy, E.

AU - Ács, Mária

AU - Tóth, Gábor

AU - Simon, Kálmán

AU - Láng, Tibor

AU - Ladányi, L.

AU - Párkányí, L.

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AB - An optically active hydrogen bromide salt of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine has been prepared and the R5 configuration studied by single-crystal X-ray analysis. The crystals are triclinic with space group P1, with two molecules in a unit cell of dimensions a = 10.798(1), b = 12.669(1) and c = 8.681(1) Å, and α = 97.15(1), β = 99.36(1) and γ = 68.74(1)°. The anomalous chiroptical behaviour is explained on the basis of the chiral interactions between the optically active conformers.

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