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Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimeth-oxy-3-methyl-phen-yl)prop-2-enoate.

Bugenhagen B, Munk A, Vill V, Al Jasem Y, Thiemann T - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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, mol-ecules 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 inter-actions, forming a three-dimensional framework.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institute of Inorganic Chemistry, University of Hamburg, Hamburg, Germany.

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, mol-ecules 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 inter-actions, forming a three-dimensional framework.

No MeSH data available.


Related in: MedlinePlus

Intermolecular C—H···O and C—H···π(Cg1) contacts between molecules of the title compound (see Table 1 for details; symmetry codes: (i) - x + 1, y + 1/2, - z +3/2; (ii) x, y, z; (iii) x + 1/2, - y + 3/2, - z + 1).
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Fap2: Intermolecular C—H···O and C—H···π(Cg1) contacts between molecules of the title compound (see Table 1 for details; symmetry codes: (i) - x + 1, y + 1/2, - z +3/2; (ii) x, y, z; (iii) x + 1/2, - y + 3/2, - z + 1).


Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimeth-oxy-3-methyl-phen-yl)prop-2-enoate.

Bugenhagen B, Munk A, Vill V, Al Jasem Y, Thiemann T - Acta Crystallogr E Crystallogr Commun (2015)

Intermolecular C—H···O and C—H···π(Cg1) contacts between molecules of the title compound (see Table 1 for details; symmetry codes: (i) - x + 1, y + 1/2, - z +3/2; (ii) x, y, z; (iii) x + 1/2, - y + 3/2, - z + 1).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384600&req=5

Fap2: Intermolecular C—H···O and C—H···π(Cg1) contacts between molecules of the title compound (see Table 1 for details; symmetry codes: (i) - x + 1, y + 1/2, - z +3/2; (ii) x, y, z; (iii) x + 1/2, - y + 3/2, - z + 1).
Bottom Line: 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, mol-ecules 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 inter-actions, forming a three-dimensional framework.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institute of Inorganic Chemistry, University of Hamburg, Hamburg, Germany.

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, mol-ecules 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 inter-actions, forming a three-dimensional framework.

No MeSH data available.


Related in: MedlinePlus