Interesting Conformational and Substitutional Disorder in the Crystal Structures of Three Homologous Crowns

Zs Böcskei, K. Simon, V. Németh, B. Ágai, L. Tőke

Research output: Article

1 Citation (Scopus)

Abstract

The structures of three members of a homologous family of diphenylamine-containing crowns, 2-chloro-6,7,9,10-tetrahydro-16H-dibenzo[b,k][1,4,7,10]- monoazatrioxacyclododecine (NAI), 2-chloro-6,7,9,10,-12,13-hexahydro-19H-dibenzo[b,n] [1,4,7,10,13]monoazatetraoxacyclopentadecine (NAII), 2-chloro-6,7,9,10,12,13,15,16-octahydro-22H-dibenzo[b,q][1,4,-7,10,13,16] monoazapentaoxacyclooctadecine] (NAIII), are reported, compared and trends are established. The largest crown (an 18-crown-6-type) presents an ability to form a molecular compound with water molecules spontaneously. The propeller-like conformational behaviour of the two phenyl rings leads to the presence of two chiral conformers in the unit cell of the crystals. Additionally due to the conformationally non-equivalent role of the two phenyl rings, the chlorine substitution leads to two further species, resulting in four different conformers in each crystal structure. The presence of so many species in one crystal generates an interesting type of disorder in two of the three cases.

Original languageEnglish
Pages (from-to)194-200
Number of pages7
JournalActa Crystallographica Section B
Volume52
Issue number1
Publication statusPublished - febr. 1 1996

Fingerprint

Crowns
Crystal structure
Diphenylamine
disorders
Crystals
crystal structure
propellers
rings
Chlorine
Propellers
crystals
chlorine
Substitution reactions
substitutes
trends
Molecules
Water
cells
water
molecules

ASJC Scopus subject areas

  • Structural Biology
  • Condensed Matter Physics

Cite this

Interesting Conformational and Substitutional Disorder in the Crystal Structures of Three Homologous Crowns. / Böcskei, Zs; Simon, K.; Németh, V.; Ágai, B.; Tőke, L.

In: Acta Crystallographica Section B, Vol. 52, No. 1, 01.02.1996, p. 194-200.

Research output: Article

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