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Related Concept Videos

NMR Spectroscopy of Benzene Derivatives01:37

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...
Nomenclature of Aromatic Compounds with Multiple Substituents01:11

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 and Nomenclature of Epoxides02:38

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...
Preparation of Epoxides03:00

Preparation of Epoxides

Overview
Epoxides result from alkene oxidation, which can be achieved by a) air, b) peroxy acids, c) hypochlorous acids, and d) halohydrin cyclization.
Epoxidation with Peroxy Acids
Epoxidation of alkenes via oxidation with peroxy acids involves the conversion of a carbon–carbon double bond to an epoxide using the oxidizing agent meta-chloroperoxybenzoic acid, commonly known as MCPBA. Since the O–O bond of peroxy acids is very weak, the addition of electrophilic oxygen of peroxy acids to...
Hydrolysis of Chlorobenzene to Phenol: Dow Process01:10

Hydrolysis of Chlorobenzene to Phenol: Dow Process

Simple aryl halides do not react with nucleophiles under normal conditions. However, the reaction can proceed under drastic conditions involving high temperatures and high pressure to give the substituted products. For example, chlorobenzene is converted to phenol using aqueous sodium hydroxide at 350 °C under high pressure by the Dow process. The reaction follows an elimination-addition mechanism involving a benzyne intermediate. Here, the chloride ion is eliminated to generate the benzyne...
π Molecular Orbitals of 1,3-Butadiene01:24

π Molecular Orbitals of 1,3-Butadiene

Conjugated dienes have lower heats of hydrogenation than cumulated and isolated dienes, making them more stable. The enhanced stabilization of conjugated systems can be understood from their π molecular orbitals.
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...

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Updated: May 11, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
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3,5-Dimeth-oxy-4'-methyl-biphen-yl.

Manu Lahtinen1, Kalle Nättinen, Sami Nummelin

  • 1University of Jyväskylä, Department of Chemistry, PO Box 35, FI-40014 JY, Finland.

Acta Crystallographica. Section E, Structure Reports Online
|May 2, 2013
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a C15H16O2 compound, revealing complex molecular packing and intermolecular interactions. Wave-like layers and hydrogen bonding networks were observed in the crystalline structure.

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Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Supramolecular chemistry

Background:

  • Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
  • Molecular packing and intermolecular interactions dictate crystal lattice formation and influence material characteristics.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound (C15H16O2).
  • To analyze the molecular conformation, including intra-molecular torsion angles between aromatic rings.
  • To investigate the intermolecular interactions and packing motifs within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the crystal structure.
  • Analysis of the asymmetric unit revealed three independent molecules.
  • Intermolecular interactions, such as C-H⋯π and C-H⋯O hydrogen bonds, were identified and characterized.

Main Results:

  • The title compound, C15H16O2, crystallizes with three independent molecules in the asymmetric unit.
  • Intra-molecular torsion angles between aromatic rings were measured as -36.4(3)°, 41.3(3)°, and -37.8(3)°.
  • Complex molecular packing forms wave-like layers along the b and c axes, stabilized by methoxy-phenyl C-H⋯π interactions and a weak C-H⋯O hydrogen-bonding network.

Conclusions:

  • The crystal structure of C15H16O2 exhibits intricate molecular arrangements and significant intermolecular interactions.
  • The identified C-H⋯π and C-H⋯O interactions play a key role in stabilizing the observed wave-like layered structure.
  • This detailed structural analysis provides fundamental insights into the solid-state behavior of this compound.