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5,7,8,10,11,13,14,16-Octa-hydro-6,15-(ethanoxyethanoxyethano)-1,4:17,20-dietheno[9,12,6,15]benzodioxadiaza-cyclo-docosine.

ABSTRACT: The title compound, C(32)H(40)N(2)O(4), is a 1,10-diaza-18-crown-6 cryptand with an o-terphenyl bridge. In the polyether ring, two adjacent -CH(2)- groups are disordered with very nearly equal populations of two conformers. The ordered bond lengths are normal, with average C-C = 1.511?(3)?Å, C-O = 1.421?(3)?Å, and C-N = 1.466?(4)?Å. The r.m.s. deviations of the three rings of the terphenyl bridge vary from 0.007 to 0.009?Å and the two rings ortho to one another are twisted by 50.75?(5) and 47.76?(4)° with respect to the third ring. The N?N distance is 5.408?(1)?Å.

SUBMITTER: Barnett HA

PROVIDER: S-EPMC3515318 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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5,7,8,10,11,13,14,16-Octa-hydro-6,15-(ethanoxyethanoxyethano)-1,4:17,20-dietheno[9,12,6,15]benzodioxadiaza-cyclo-docosine.

Barnett Heath A HA Fronczek Frank R FR Watkins Steven F SF

Acta crystallographica. Section E, Structure reports online 20121031 Pt 11

The title compound, C(32)H(40)N(2)O(4), is a 1,10-diaza-18-crown-6 cryptand with an o-terphenyl bridge. In the polyether ring, two adjacent -CH(2)- groups are disordered with very nearly equal populations of two conformers. The ordered bond lengths are normal, with average C-C = 1.511 (3) Å, C-O = 1.421 (3) Å, and C-N = 1.466 (4) Å. The r.m.s. deviations of the three rings of the terphenyl bridge vary from 0.007 to 0.009 Å and the two rings ortho to one another are twisted by 50.75 (5) and 47.76 ...[more]

PMID: 23284538

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