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(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra-hydro-naphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN.

Faust R, Nauroozi D, Bruhn C, Koch B, Kuhlich P, Piechotta C, Nehls I - Acta Crystallogr Sect E Struct Rep Online (2011)

Bottom Line: The title compound (AHTN-OH), C(17)H(26)O, was prepared in order to provide standard materials for the qualitative and quanti-tative analysis of environmental pollutants.The asymmetric unit consists of four AHTN-OH mol-ecules containing an hy-droxy group and forming a tetra-meric cyclic motif built up by four strong hydrogen bonds between these hy-droxy groups and additionally by two weak C-H⋯π inter-actions.Furthermore, these tetra-mers are linked via very weak C-H⋯π inter-actions, forming chains along the c axis.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound (AHTN-OH), C(17)H(26)O, was prepared in order to provide standard materials for the qualitative and quanti-tative analysis of environmental pollutants. The mol-ecule possesses a chiral C atom, although the structure determination was performed on racemic material, expressed in the structure as disordered chiral sites. The asymmetric unit consists of four AHTN-OH mol-ecules containing an hy-droxy group and forming a tetra-meric cyclic motif built up by four strong hydrogen bonds between these hy-droxy groups and additionally by two weak C-H⋯π inter-actions. Furthermore, these tetra-mers are linked via very weak C-H⋯π inter-actions, forming chains along the c axis.

No MeSH data available.


Related in: MedlinePlus

Tetrameric motif of four hydrogen bonded molecules of 1 in the crystal. The ellipsoids represent the 30% probability level. The H atoms are drawn as circles of arbitrary radius, only one split position of the atoms C8, C25, C42 and C59 is displayed.
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Fap1: Tetrameric motif of four hydrogen bonded molecules of 1 in the crystal. The ellipsoids represent the 30% probability level. The H atoms are drawn as circles of arbitrary radius, only one split position of the atoms C8, C25, C42 and C59 is displayed.


(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra-hydro-naphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN.

Faust R, Nauroozi D, Bruhn C, Koch B, Kuhlich P, Piechotta C, Nehls I - Acta Crystallogr Sect E Struct Rep Online (2011)

Tetrameric motif of four hydrogen bonded molecules of 1 in the crystal. The ellipsoids represent the 30% probability level. The H atoms are drawn as circles of arbitrary radius, only one split position of the atoms C8, C25, C42 and C59 is displayed.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3120335&req=5

Fap1: Tetrameric motif of four hydrogen bonded molecules of 1 in the crystal. The ellipsoids represent the 30% probability level. The H atoms are drawn as circles of arbitrary radius, only one split position of the atoms C8, C25, C42 and C59 is displayed.
Bottom Line: The title compound (AHTN-OH), C(17)H(26)O, was prepared in order to provide standard materials for the qualitative and quanti-tative analysis of environmental pollutants.The asymmetric unit consists of four AHTN-OH mol-ecules containing an hy-droxy group and forming a tetra-meric cyclic motif built up by four strong hydrogen bonds between these hy-droxy groups and additionally by two weak C-H⋯π inter-actions.Furthermore, these tetra-mers are linked via very weak C-H⋯π inter-actions, forming chains along the c axis.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound (AHTN-OH), C(17)H(26)O, was prepared in order to provide standard materials for the qualitative and quanti-tative analysis of environmental pollutants. The mol-ecule possesses a chiral C atom, although the structure determination was performed on racemic material, expressed in the structure as disordered chiral sites. The asymmetric unit consists of four AHTN-OH mol-ecules containing an hy-droxy group and forming a tetra-meric cyclic motif built up by four strong hydrogen bonds between these hy-droxy groups and additionally by two weak C-H⋯π inter-actions. Furthermore, these tetra-mers are linked via very weak C-H⋯π inter-actions, forming chains along the c axis.

No MeSH data available.


Related in: MedlinePlus