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Nomenclature of Aromatic Compounds with Multiple Substituents

Nomenclature of Aromatic Compounds with Multiple Substituents

When more than one substituent is present on the benzene ring, the IUPAC nomenclature depends on the number of substituents present.
For disubstituted benzene derivatives, with two groups attached to the benzene ring, three constitutional isomers are possible. For example, consider dimethyl benzene, often called xylene, where the second methyl group can be substituted at the second, third, or fourth carbon. The relative position of the substituents is represented by prefixes ortho, meta, or...

Structure of Benzene: Molecular Orbital Model

Structure of Benzene: Molecular Orbital Model

According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).

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...

NMR Spectroscopy of Benzene Derivatives

NMR Spectroscopy of Benzene Derivatives

Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling constants depend...

Structure of Benzene: Kekulé Model

Structure of Benzene: Kekulé Model

In 1865, August Kekule suggested the structure of benzene according to the structural theory of organic chemistry based on the three assertions—formula of benzene is C6H6, all the hydrogens of benzene are equivalent, and each carbon must have four bonds due to its tetravalency.
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.

Prochirality

Prochirality

The concept of prochirality leads to the nomenclature of the individual faces of a molecule and plays a crucial role in the enantioselective reaction. It is a concept where two or more achiral molecules react to produce chiral products. A typical process is the reaction of an achiral ketone to generate a chiral alcohol. Here, the achiral reactant reacts with an achiral reducing agent, sodium borohydride, to generate an equimolar mixture of the chiral enantiomers of the product. For example, an...

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4,4'-Dimethoxy-benzophenone: a triclinic polymorph.

Hoong-Kun Fun, S Franklin, Samuel Robinson Jebas

Acta Crystallographica. Section E, Structure Reports Online

|January 5, 2011

Summary

This summary is machine-generated.

Researchers discovered a new triclinic crystal form of a compound C(15)H(14)O(3). This polymorph features two independent molecules with varied benzene ring orientations, stabilized by hydrogen bonds and C-H⋯π interactions.

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Area of Science:

Crystallography
Solid-state chemistry
Organic chemistry

Background:

Polymorphism is crucial in determining the physical and chemical properties of organic compounds.
Understanding crystal structures aids in predicting material behavior and optimizing applications.
Previous studies have characterized monoclinic polymorphs of related compounds.

Purpose of the Study:

To identify and characterize a novel triclinic polymorph of the title compound C(15)H(14)O(3).
To elucidate the molecular arrangement and intermolecular interactions within the new crystal structure.
To compare the structural features with previously reported polymorphs.

Main Methods:

Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
The crystal packing was analyzed to identify stabilizing intermolecular forces.
Comparison with existing crystallographic data was performed.

Main Results:

A new triclinic polymorph of C(15)H(14)O(3) was successfully crystallized and characterized.
The asymmetric unit contains two independent molecules with slight differences in benzene ring orientation.
Crystal packing is stabilized by intermolecular hydrogen bonds (C-H⋯O) and C-H⋯π interactions.

Conclusions:

The discovery of a new triclinic polymorph expands the known polymorphic landscape of C(15)H(14)O(3).
The identified intermolecular interactions provide insights into crystal stabilization mechanisms.
Structural characterization is essential for understanding and controlling the properties of crystalline organic materials.