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Structure and Nomenclature of Epoxides

Structure and Nomenclature of Epoxides

Cyclic ethers are heterocyclic compounds with an oxygen atom in the ring along with carbon atoms. They are named depending on the number of carbon atoms present in their ring system. Cyclic ethers with a three-membered ring system are called “oxirane”, four-membered ring systems as “oxetane”, five-membered ring systems as “oxolane”, and six-membered ring systems as “oxane”. The cyclic structure of these rings imposes angle strain, and this strain is more in the ring having a smaller number of...

Structure and Nomenclature of Ethers

Structure and Nomenclature of Ethers

Structure and Bonding
Ethers are organic compounds with an ether functional group which is characterized by an oxygen atom connected to two — identical or different — alkyl, aryl, or vinyl groups. The C–O–C linkage in dimethyl ether — the simplest ether — has an approximately tetrahedral bond angle of 110.3 degrees. The oxygen atom is sp3- hybridized, with the C–O distance being about 140 pm.
Classification of Ethers
Based on their attached substituent groups, ethers can be classified into two...

Structure and Nomenclature of Alcohols and Phenols

Structure and Nomenclature of Alcohols and Phenols

Overview
Alcohols are one of the most important functional groups in organic chemistry. The name of alcohol comes from the hydrocarbon from which it is derived. Alcohols are organic molecules containing the functional hydroxyl or –OH group directly bonded to carbon. Phenols have an OH group directly attached to a benzene ring. While alcohols are colorless, phenol is a white crystalline compound with a characteristic "hospital smell" odor.
As with other organic compounds, alcohols and phenols...

UV–Vis Spectroscopy: Woodward–Fieser Rules

UV–Vis Spectroscopy: Woodward–Fieser Rules

UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π&VeryThinSpace;→&VeryThinSpace;π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given structure by adding the contributions...

Acidity and Basicity of Alcohols and Phenols

Acidity and Basicity of Alcohols and Phenols

Like water, alcohols are weak acids and bases. This is attributed to the polarization of the O–H bond making the hydrogen partially positive. Moreover, the electron pairs on the oxygen atom of alcohol make it both basic and nucleophilic. Protonation of an alcohol converts hydroxide, a poor leaving group, into water—a good one. The two acid–base equilibria corresponding to ethanol are depicted below.

IUPAC Nomenclature of Aldehydes

IUPAC Nomenclature of Aldehydes

Aldehydes are named based on the systematic nomenclature rules set by the IUPAC. For acyclic aldehydes, the longest carbon chain containing the aldehydic (–CHO) group is considered the parent chain. The aldehyde is named by replacing the last letter “e” in the hydrocarbon name with “al”. For instance, a simple, seven-carbon-membered acyclic aldehyde is called heptanal, derived from heptane. The carbon chain is numbered starting from the aldehydic carbon, although the aldehydic carbon’s locant...

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(E)-1-(Furan-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

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|February 21, 2012

Summary

This summary is machine-generated.

This study details the crystal structure of a chalcone derivative (C(16)H(16)O(5)). Molecular analysis reveals specific dihedral angles and intermolecular interactions, including C-H⋯O bonds and π-π stacking, influencing crystal packing.

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Area of Science:

Crystallography
Organic Chemistry
Supramolecular Chemistry

Background:

Chalcone derivatives are known for diverse biological activities.
Understanding the solid-state structure is crucial for predicting properties and designing new molecules.
Precise structural data informs structure-activity relationship studies.

Purpose of the Study:

To elucidate the crystal structure of a specific chalcone derivative, C(16)H(16)O(5).
To analyze the molecular conformation, including dihedral angles between aromatic rings.
To identify and characterize intermolecular interactions governing crystal packing.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
Analysis of bond lengths, bond angles, and dihedral angles provided conformational details.
Intermolecular interactions such as hydrogen bonds and π-π stacking were identified using crystallographic analysis.

Main Results:

The dihedral angle between the furan and benzene rings was determined to be 2.06(17)°.
Methoxy groups exhibited varying degrees of coplanarity with the benzene ring.
Weak C-H⋯O interactions and intermolecular π-π stacking were observed, forming a sheet-like structure.

Conclusions:

The crystal structure of the chalcone derivative C(16)H(16)O(5) has been successfully determined.
Specific conformational preferences and intermolecular forces dictate the observed crystal packing.
This structural information contributes to the understanding of chalcone derivatives in the solid state.