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Methyl 3,5,5,6,8,8-hexa-methyl-5,6,7,8-tetra-hydro-naphthalene-2-carboxyl-ate (AHTN-COOMe).
Kuhlich, Paul; Emmerling, Franziska; Piechotta, Christian; Nehls, Irene.
Afiliação
  • Kuhlich P; BAM Federal Institute for Materials Research and Testing, Richard-Willstätter-Strasse 11, D-12489 Berlin-Adlershof, Germany.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o485, 2011 Jan 26.
Article em En | MEDLINE | ID: mdl-21523141
ABSTRACT
Crystals of the title compound, C(18)H(26)O(2), were grown from ethyl acetate. Due to the racemic precursor, the title compound is also obtained as a racemate. Disorder was observed during structure refinement, originating from two possible half-chair conformations of the non-aromatic ring. The disorder was refined by introducing split positions in the cyclo-hexane ring regarding the two possible R and S-enantiomers at the chiral CH group [ratio 0.744 (3)0.256 (3)]. The crystal structure features pairs of inversion-related molecules connected by pairs of non-classical C-H⋯O hydrogen bonds.

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2011 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2011 Tipo de documento: Article