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IUPAC Nomenclature of Aldehydes

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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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Synthesis of Antiviral Tetrahydrocarbazole Derivatives by Photochemical and Acid-catalyzed C-H Functionalization via Intermediate Peroxides (CHIPS)

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4-Amino-2-chloro-benzoic acid.

Muneeb Hayat Khan, Islam Ullah Khan, Mehmet Akkurt

Acta Crystallographica. Section E, Structure Reports Online

|November 9, 2011

Summary

This study details the crystal structure of a chloro-nitroaniline compound, revealing specific molecular arrangements and hydrogen bonding patterns. The research highlights the formation of dimers and a 3D network, with the crystal identified as a racemic twin.

Area of Science:

Crystallography
Chemical Physics
Solid-state Chemistry

Background:

Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
Hydrogen bonding plays a significant role in molecular self-assembly and crystal packing.
The presence of specific functional groups, like amine and nitro groups, influences intermolecular interactions.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(7)H(6)ClNO(2).
To investigate the intermolecular interactions, including hydrogen bonding, governing the crystal packing.
To characterize the crystallographic features, such as molecular planarity and the presence of racemic twinning.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.

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Analysis of bond lengths, bond angles, and intermolecular distances to identify hydrogen bonding networks.

Calculation of root-mean-square deviations (r.m.s.d.) to assess molecular planarity.

Main Results:

The crystal structure contains two roughly planar molecules in the asymmetric unit.
Molecules are organized into dimers via O-H⋯O hydrogen bonds, forming R(2)(2)(8) loops.
A three-dimensional network is formed through N-H⋯N and N-H⋯Cl hydrogen bonds.
The crystal was identified as a racemic twin, indicating the presence of both enantiomers.

Conclusions:

The study provides a detailed description of the crystal structure and hydrogen bonding of C(7)H(6)ClNO(2).
The observed packing arrangement, driven by specific hydrogen bonds, dictates the solid-state properties.
The identification of racemic twinning is an important crystallographic characteristic of this compound.