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Triamcinolone acetonide acetate.

Xiao Lu, Gu-Ping Tang, Jian-Ming Gu

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|April 28, 2011

Summary

This summary is machine-generated.

The crystal structure reveals a novel compound forming infinite chains via hydrogen bonds. Its complex framework features five fused rings with specific conformations, including a nearly planar cyclohexadienone ring.

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Area of Science:

Crystallography
Organic Chemistry
Supramolecular Chemistry

Background:

Understanding the three-dimensional arrangement of atoms in novel organic compounds is crucial for predicting their properties and potential applications.
Hydrogen bonding plays a significant role in the self-assembly of molecules and the formation of extended structures.

Purpose of the Study:

To elucidate the crystal structure of the title compound, 2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetra-methyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodeca-hydro-7,9-dioxa-penta-leno[2,1-a]phenanthren-6b-yl)-2-oxoethyl acetate.
To investigate the intermolecular interactions and supramolecular assembly within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

Main Results:

The crystal structure of C(26)H(33)FO(7) was determined.
Molecules are linked by intermolecular O-H⋯O hydrogen bonds, forming an infinite supramolecular chain along the b axis.
The molecular framework comprises five condensed rings (three six-membered, two five-membered) with distinct conformations: a nearly planar cyclohexadienone ring, chair conformations for cyclohexane rings, and envelope conformations for cyclopentane and 1,3-dioxolane rings.

Conclusions:

The study provides a detailed understanding of the solid-state structure and hydrogen bonding patterns of the title compound.
The observed supramolecular chain formation highlights the role of hydrogen bonds in organizing molecules in the crystal lattice.
The conformational analysis offers insights into the stereochemistry of this complex polycyclic system.