Crystal structure of cholest-5-en-3b-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate

Bernhard Bugenhagen; Ariane Munk; Volkmar Vill; Yosef Al Jasem; Thies Thiemann; H. Stoeckli-Evans

doi:10.1107/S2056989014028278

Crystal structure of cholest-5-en-3b-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate

Bernhard Bugenhagen
, Ariane Munk
, Volkmar Vill
, Yosef Al Jasem
, Thies Thiemann
, H. Stoeckli-Evans

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

In the title compound, C₃₉H₅₈O₄, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, molecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C - H⋯O hydrogen bonds and C - H⋯π interactions, forming a three-dimensional framework.

Original language	English
Pages (from-to)	o92-o93
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	2
DOIs	https://doi.org/10.1107/S2056989014028278
Publication status	Published - Feb 1 2015

Keywords

C - - H⋯πinteractions
Cholesteryl cinnamates
Crystal structure
Hydrogen bonding
Methyl (E)-3-(24-dimethoxy-3-methylphenyl)acrylate

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S2056989014028278

Cite this

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title = "Crystal structure of cholest-5-en-3b-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate",

abstract = "In the title compound, C39H58O4, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, molecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C - H⋯O hydrogen bonds and C - H⋯π interactions, forming a three-dimensional framework.",

keywords = "C - - H⋯πinteractions, Cholesteryl cinnamates, Crystal structure, Hydrogen bonding, Methyl (E)-3-(24-dimethoxy-3-methylphenyl)acrylate",

author = "Bernhard Bugenhagen and Ariane Munk and Volkmar Vill and \{Al Jasem\}, Yosef and Thies Thiemann and H. Stoeckli-Evans",

year = "2015",

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doi = "10.1107/S2056989014028278",

language = "English",

volume = "71",

pages = "o92--o93",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "2",

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TY - JOUR

T1 - Crystal structure of cholest-5-en-3b-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate

AU - Bugenhagen, Bernhard

AU - Munk, Ariane

AU - Vill, Volkmar

AU - Al Jasem, Yosef

AU - Thiemann, Thies

AU - Stoeckli-Evans, H.

PY - 2015/2/1

Y1 - 2015/2/1

N2 - In the title compound, C39H58O4, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, molecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C - H⋯O hydrogen bonds and C - H⋯π interactions, forming a three-dimensional framework.

AB - In the title compound, C39H58O4, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, molecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C - H⋯O hydrogen bonds and C - H⋯π interactions, forming a three-dimensional framework.

KW - C - - H⋯πinteractions

KW - Cholesteryl cinnamates

KW - Crystal structure

KW - Hydrogen bonding

KW - Methyl (E)-3-(24-dimethoxy-3-methylphenyl)acrylate

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U2 - 10.1107/S2056989014028278

DO - 10.1107/S2056989014028278

M3 - Article

AN - SCOPUS:84928139382

SN - 1600-5368

VL - 71

SP - o92-o93

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -

Crystal structure of cholest-5-en-3b-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate

Abstract

Keywords

ASJC Scopus subject areas

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