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Two similar lactone-hydrochlorides with different types of hydrogen bonding networks: Crystal structure of (R, S)-a-amino-g-caprolactone hydrochloride and racemic a-amino-g-methyl-g-valerolactone hydrochloride semihydrate


Kaitner, Branko; Kirin, Srećko I.; Meštrović, Ernest
Two similar lactone-hydrochlorides with different types of hydrogen bonding networks: Crystal structure of (R, S)-a-amino-g-caprolactone hydrochloride and racemic a-amino-g-methyl-g-valerolactone hydrochloride semihydrate // Journal of Chemical Crystallography, 25 (1995), 3; 117-122 (međunarodna recenzija, članak, znanstveni)


Naslov
Two similar lactone-hydrochlorides with different types of hydrogen bonding networks: Crystal structure of (R, S)-a-amino-g-caprolactone hydrochloride and racemic a-amino-g-methyl-g-valerolactone hydrochloride semihydrate

Autori
Kaitner, Branko ; Kirin, Srećko I. ; Meštrović, Ernest

Izvornik
Journal of Chemical Crystallography (1074-1542) 25 (1995), 3; 117-122

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Lactone-hydrochloride; Solid-state structure; X-ray diffraction; Conformation

Sažetak
The X-ray crystal structure of (R, S)-a-amino-g-caprolactone hydrochloride (compound 1) and a-amino-g-methyl-g-valerolactone hydrochloride semihydrate (compound 2) are presented. Both compound 1 and compound 2 belong to the orthorhombic system. Caprolactone-hydrochloride 1 crystallizes in the space group P212121 with a=5.1948(7), b=8.7404(8), c=17.907(1) Å .V=813.0(2) Å 3, Z=4. Valerolactone-hydrochloride 2 crystallizes in the space group Pna21 with a=26.771(8), b=5.1598(7), c=13.201(3) Å , V=1823.5(7) Å 3, Z=8. The lactone cations maintain the same, open envelope conformation in both crystals. The lactone-hydrochloride packing arrangements in 1 and 2 are distinctly different. While in 1 N– H...Cl and N– H...O hydrogen bonding creates two dimensional nets in the form of puckered layers perpendicular to the [001] direction, in 2 a water molecule of crystallization with an additional OW– H...Cl hydrogen interaction assists in forming a three-dimensional hydrogen-bond network throughout the crystal.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus