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Ionic Crystal Structures

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...

Ionic Compounds: Formulas and Nomenclature

Ionic Compounds: Formulas and Nomenclature

An element composed of atoms that readily lose electrons (a metal) can react with an element composed of atoms that readily gain electrons (a nonmetal) to produce ions through complete electron transfer. The compound formed by this transfer is stabilized by the electrostatic attractions (ionic bonds) between the oppositely charged ions.

Aldehydes and Ketones with HCN: Cyanohydrin Formation Overview

Aldehydes and Ketones with HCN: Cyanohydrin Formation Overview

Cyanohydrins are compounds that contain –CN and –OH groups on the same carbon atom. They are formed by the nucleophilic addition of the cyanide ions to the carbonyl group. Cyanide ions are highly basic and nucleophilic and can be generated from HCN under aqueous conditions. However, since HCN is a weak acid, the number of cyanide ions generated is very small. Hence, a small amount of base or KCN/NaCN is added to HCN to increase the concentration of the cyanide ions in the reaction mixture.

Preparation of Acid Anhydrides

Preparation of Acid Anhydrides

One of the methods for preparing symmetrical or unsymmetrical acid anhydrides involves the treatment of acid chlorides with the sodium salt of carboxylic acids. The reaction proceeds via a nucleophilic acyl substitution.
The carboxylate ion acts as a nucleophile that attacks the carbonyl carbon of the acid chloride to form a tetrahedral intermediate. Subsequently, the re-formation of the carbonyl group with the loss of the chloride ion as a leaving group leads to the formation of an acid...

Chemical Ionization (CI) Mass Spectrometry

Chemical Ionization (CI) Mass Spectrometry

The molecular ion peak of a molecule in the mass spectrum provides vital information for molecular identification. However, conventional electron impact ionization can lead to the rapid dissociation of some molecular ions before they reach the detector. A milder ionization method is required to increase the lifetime of such ionized analyte molecules. Chemical ionization (CI) is a gas-phase protonation reaction useful for mass-analyzing analyte molecules that are easily protonated to yield the...

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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Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles

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Published on: August 22, 2018

Cinchonidinium chloride monohydrate.

Shi-Feng Ni, Lin Lin Ma, Gui Fang Zhao

Acta Crystallographica. Section E, Structure Reports Online

|January 5, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a salt hydrate, revealing a 3D framework formed by extensive hydrogen bonding between ions and water molecules. The vinyl group exhibits positional disorder, impacting the crystal lattice arrangement.

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Efficient Synthesis of All-Carbon Quaternary Centers via the Conjugate Addition of Functionalized Monoorganozinc Bromides

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Area of Science:

Crystallography
Materials Science
Chemical Physics

Background:

Understanding the intermolecular interactions in crystalline solids is crucial for predicting material properties.
Hydrogen bonding plays a significant role in the self-assembly and structural organization of molecular crystals.
Previous crystallographic data for the title compound exists, necessitating a detailed modern analysis.

Purpose of the Study:

To elucidate the detailed crystal structure of the title salt hydrate.
To characterize the hydrogen bonding network and its contribution to the three-dimensional framework.
To investigate the conformational behavior of the vinyl group within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to collect diffraction data.
The crystal structure was solved and refined using standard crystallographic software.
Analysis of hydrogen bonding interactions was performed based on the refined atomic coordinates.

Main Results:

The crystal structure of C(19)H(23)N(2)O(+)·Cl(-)·H(2)O was determined, revealing a robust three-dimensional framework.
Multiple hydrogen bonds, including O-H⋯Cl, N-H⋯Cl, O-H⋯O, O-H⋯N, and C-H⋯Cl, were identified and characterized.
The vinyl group displayed significant positional disorder, adopting two distinct orientations with refined occupancies.

Conclusions:

The intricate hydrogen bonding network dictates the overall crystal packing and stability.
The observed disorder in the vinyl group suggests conformational flexibility within the crystal structure.
This detailed structural analysis provides a foundation for further investigations into the physical and chemical properties of this salt hydrate.