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Journal of Structural Chemistry

2008 year, number 5

Сrystal and molecular structures of (3Z)-(±)-4-(2′-hydroxypropyl)amino- and (3Z)-4-(2′-hydroxyethyl)aminopent-3-en-2-ones

A. B. Dobrynin, P. I. Gryaznov, O. E. Naumova, I. A. Litvinov, V. A. Alfonsov
Keywords: 4-(2?-hydroxyalkyl)amino-pent-3-en-2-ones, crystal and molecular structures, X-ray diffraction analysis
Pages: 950-955

Abstract

An X-ray study of (3Z)-(±)-4-(2′-hydroxypropyl)amino- and (3Z)-4-(2′-hydroxyethyl)aminopent-3-en-2-ones is reported. The bond lengths inside the H ring are equalized due to the classical N-H…O hydrogen bond between the carbonyl oxygen and the amino group. In the 4-(2′-hydroxyethyl)aminopent-3-en-2-one crystal, due to the classical N-H…O bonds, infinite zigzag chains are formed along the 0b axis and arranged into a layered structure due to the weak C-H…O interactions. In (±)-4-(2′-hydroxypropyl)amino-pent-3-en-2-one crystal, however, centrosymmetric dimers are formed, which are then linked by weak
C-H…O intermolecular interactions, which form a layered structure along the a0b plane.