About: 3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)-isochroman-1-one     Goto   Sponge   NotDistinct   Permalink

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Description
  • In the title compound, C28H32O2, the oxanone ring adopts distorted half-boat conformation with the following Cremer and Pople puckering parameters: Q = 0.619 (2) Å, = 0.75 (19) and = 172 (13)°. The dihedral angle betwen two benzene rings is 21.32 (7)°. The adamantane unit consists of three fused cyclohexane rings in classical chair conformations, with absolute values of C?C?C?C torsion angles in the range 57.5 (2)?60.9 (2)°. Weak interactions of the type C?H???O link molecules of each enantiomer into chains parallel to the b axis and lying about inversion centers. The crystal packing is also stabilized by intermolecular ?stacking interactions [centroid-centroid distance of 3.8566 (11) Å].
  • In the title compound, C28H32O2, the oxanone ring adopts distorted half-boat conformation with the following Cremer and Pople puckering parameters: Q = 0.619 (2) Å, = 0.75 (19) and = 172 (13)°. The dihedral angle betwen two benzene rings is 21.32 (7)°. The adamantane unit consists of three fused cyclohexane rings in classical chair conformations, with absolute values of C?C?C?C torsion angles in the range 57.5 (2)?60.9 (2)°. Weak interactions of the type C?H???O link molecules of each enantiomer into chains parallel to the b axis and lying about inversion centers. The crystal packing is also stabilized by intermolecular ?stacking interactions [centroid-centroid distance of 3.8566 (11) Å]. (en)
Title
  • 3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)-isochroman-1-one
  • 3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)-isochroman-1-one (en)
skos:prefLabel
  • 3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)-isochroman-1-one
  • 3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)-isochroman-1-one (en)
skos:notation
  • RIV/70883521:28110/09:63508176!RIV10-MSM-28110___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(MSM7088352101)
http://linked.open...iv/cisloPeriodika
  • 6
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 353940
http://linked.open...ai/riv/idVysledku
  • RIV/70883521:28110/09:63508176
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • -adamantyl; purine; x-ray difraction; single crystal (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • DK - Dánské království
http://linked.open...ontrolniKodProRIV
  • [4D9AC66EA95C]
http://linked.open...i/riv/nazevZdroje
  • Acta Crystallographica Section E - Structure Reports Online
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 65
http://linked.open...iv/tvurceVysledku
  • Vícha, Robert
  • Babjaková, Eva
  • Nečas, M.
http://linked.open...n/vavai/riv/zamer
issn
  • 1600-5368
number of pages
http://localhost/t...ganizacniJednotka
  • 28110
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