About: 2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol     Goto   Sponge   NotDistinct   Permalink

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Description
  • The conformation of the title compound, C27H34O, is stabilized by a weak intramolecular C - H...π interaction. The dihedral angle between the benzene rings is 54.79(4)°. The adamantane cage consists of three fused cyclohexane rings in classical chair conformations, with C - C - C angles in the range 107.75(10)-111.35(9)°. Although the molecule contains a hydroxy group as a conceivable hydrogen-bond donor, this group is sterically hindered by bulky substituents and no hydrogen bonds are observed in the crystal structure.
  • The conformation of the title compound, C27H34O, is stabilized by a weak intramolecular C - H...π interaction. The dihedral angle between the benzene rings is 54.79(4)°. The adamantane cage consists of three fused cyclohexane rings in classical chair conformations, with C - C - C angles in the range 107.75(10)-111.35(9)°. Although the molecule contains a hydroxy group as a conceivable hydrogen-bond donor, this group is sterically hindered by bulky substituents and no hydrogen bonds are observed in the crystal structure. (en)
Title
  • 2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol
  • 2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol (en)
skos:prefLabel
  • 2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol
  • 2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol (en)
skos:notation
  • RIV/70883521:28110/13:43869818!RIV14-MSM-28110___
http://linked.open...avai/predkladatel
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  • S
http://linked.open...iv/cisloPeriodika
  • 1
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http://linked.open...aciTvurceVysledku
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  • 119683
http://linked.open...ai/riv/idVysledku
  • RIV/70883521:28110/13:43869818
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http://linked.open.../riv/klicovaSlova
  • mean (C–C) = 0.002 A° R factor = 0.035, wR factor = 0.094, data-to-parameter ratio = 14.2.; single-crystal X-ray study, T = 120 K (en)
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http://linked.open...odStatuVydavatele
  • DK - Dánské království
http://linked.open...ontrolniKodProRIV
  • [9BAA87D5226D]
http://linked.open...i/riv/nazevZdroje
  • Acta Crystallographica Section E - Structure Reports Online
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  • 69
http://linked.open...iv/tvurceVysledku
  • Vícha, Robert
  • Bartoš, Petr
  • Babjaková, Eva
issn
  • 1600-5368
number of pages
http://bibframe.org/vocab/doi
  • 10.1107/S1600536812050647
http://localhost/t...ganizacniJednotka
  • 28110
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