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Determination of Crystal Structures

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...

Crystal Growth: Principles of Crystallization

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Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent – the...

Imperfections in Crystal Structure: Stoichiometric Point Defects

Imperfections in Crystal Structure: Stoichiometric Point Defects

Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...

Crystal Density

Crystal Density

The crystal lattice structure of a material allows us to determine how many molecules exist in its unit cell. With this information, alongside the unit-cell parameters - three distance parameters (a, b, c) and three angular parameters (α, β, γ).Density (ρ) = (Z × M) / (a × b × c × NA)where:Z is the number of formula units per unit cellM is the molar mass of the substancea, b, and c are the edge lengths of the unit cellNA is Avogadro’s numberFor a simple cubic lattice, atoms are located only at...

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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

Imperfections in Crystal Structure: Point, Line and Plane Defects

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A perfect crystal, in theory, has a uniform structure with the same unit cell and lattice points throughout. However, any deviation from this periodic arrangement is known as an imperfection or defect. These defects can be categorized into three types: point, line, and plane defects.Point defects occur when there is a deviation from the ideal due to missing atoms, displaced atoms, or additional atoms. These imperfections might occur due to imperfect packing during crystallization or because of...

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Related Experiment Video

Updated: Jun 5, 2026

$On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature$

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature

Published on: March 11, 2022

Crystal forms of SK-3530.

Hyun-Ok Song¹, Young-Taek Sohn

¹College of Pharmacy, Duksung Women's University, Seoul 132-714, Korea.

Archives of Pharmacal Research

|December 31, 2010

Summary

Two crystal forms of SK-3530 were identified and found to be physically stable. Form 2 exhibited a significantly higher dissolution rate than Form 1, indicating potential pharmaceutical advantages.

Area of Science:

Solid-state chemistry
Pharmaceutical sciences

Background:

Polymorphism significantly impacts drug properties, including solubility and bioavailability.
Understanding crystal forms is crucial for drug development and formulation.

Purpose of the Study:

To investigate the existence and physical stability of SK-3530 polymorphs.
To compare the dissolution profiles of different SK-3530 crystal forms.

Main Methods:

Recrystallization was used to isolate two distinct crystal forms of SK-3530.
Characterization involved differential scanning calorimetry (DSC), powder X-ray diffractometry (PXRD), and thermogravimetric analysis (TGA).
Physical stability was assessed under various relative humidity (RH) conditions, and dissolution rates were measured in pH 6.8 buffer.

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Crystallization and In Situ Room Temperature Data Collection Using the Crystallization Facility at Harwell and Beamline VMXi, Diamond Light Source

Crystallization and In Situ Room Temperature Data Collection Using the Crystallization Facility at Harwell and Beamline VMXi, Diamond Light Source

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$Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography$

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

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Last Updated: Jun 5, 2026

$On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature$

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Crystallization and In Situ Room Temperature Data Collection Using the Crystallization Facility at Harwell and Beamline VMXi, Diamond Light Source

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$Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography$

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

Main Results:

Two unique crystal forms of SK-3530 were successfully isolated and characterized.
Both forms demonstrated good physical stability over one month at room temperature across different RH levels.
Form 2 exhibited a significantly faster dissolution rate compared to Form 1 within the first 30 minutes.

Conclusions:

SK-3530 exists in at least two distinct polymorphic forms with good physical stability.
Form 2's superior dissolution profile suggests it may offer enhanced bioavailability for pharmaceutical applications.