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Related Concept Videos

Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

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...
Crystal Density01:19

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...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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...
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...
Ampere-Maxwell's Law: Problem-Solving01:17

Ampere-Maxwell's Law: Problem-Solving

A parallel-plate capacitor with capacitance C, whose plates have area A and separation distance d, is connected to a resistor R and a battery of voltage V. The current starts to flow at t = 0. What is the displacement current between the capacitor plates at time t? From the properties of the capacitor, what is the corresponding real current?
To solve the problem, we can use the equations from the analysis of an RC circuit and Maxwell's version of Ampère's law.
For the first part of the problem,...

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Related Experiment Video

Updated: Jul 10, 2026

Crystallization and Structural Determination of an Enzyme:Substrate Complex by Serial Crystallography in a Versatile Microfluidic Chip
10:45

Crystallization and Structural Determination of an Enzyme:Substrate Complex by Serial Crystallography in a Versatile Microfluidic Chip

Published on: March 20, 2021

Crystal clear. Engineering complexity.

Gautam Radhakrishna Desiraju1,2,3,4

  • 1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, Karnataka, India.

Iucrj
|July 9, 2026
PubMed
Summary
This summary is machine-generated.

Crystal engineering strategically designs molecular solids using supramolecular synthons and intermolecular interactions. Weak hydrogen bonds (C-H...O) and halogen bonds are key, advancing predictive science for functional materials.

Keywords:
Cambridge Structural Databasecrystal engineeringcrystal structure predictionhalogen bondshydrogen bondsintermolecular interactionsmechanical properties of crystalspharmaceutical cocrystalspolymorphismsupramolecular synthons

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Optimization of Crystal Growth for Neutron Macromolecular Crystallography

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Area of Science:

  • Structural Chemistry
  • Materials Science
  • Crystallography

Background:

  • Crystal engineering has revolutionized structural chemistry by enabling the design of molecular solids with targeted properties.
  • The concept of the supramolecular synthon, a fundamental building block, is central to this design approach.
  • Retrosynthetic analysis is applied to crystal design, utilizing intermolecular interactions.

Purpose of the Study:

  • To highlight the evolution of crystal engineering as a predictive science.
  • To emphasize the importance of supramolecular synthons in crystal design.
  • To discuss the role of various intermolecular interactions in molecular assembly.

Main Methods:

  • Identification and application of supramolecular synthons for crystal design.
  • Utilizing intermolecular interactions, including weak hydrogen bonds (C-H...O) and halogen bonds.
  • Developing standardized definitions for novel intermolecular interactions.

Main Results:

  • Validation of weak C-H...O hydrogen bonds as structurally and functionally significant in crystals and biological systems.
  • Expansion of the crystal engineer's toolkit to include halogen bonding and interactions involving electrophilic elements.
  • Recognition of molecular crystals as holistic supramolecular systems rather than simple assemblies.

Conclusions:

  • Crystal engineering has advanced to a predictive science through the understanding and manipulation of intermolecular forces.
  • The strategic use of supramolecular synthons and diverse interactions allows for the rational design of functional materials.
  • A holistic view of crystals as supramolecular entities is crucial for engineering advanced materials.