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Related Concept Videos

Ionic Crystal Structures02:42

Ionic Crystal Structures

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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...
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Determination of Crystal Structures01:29

Determination of Crystal Structures

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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...
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Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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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...
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X-ray Crystallography02:18

X-ray Crystallography

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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The Seven Crystal Systems: Overview01:24

The Seven Crystal Systems: Overview

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Crystals with various point group symmetries belong to different crystal classes, which are synonymous terms. Despite being in the same class, crystals may have distinct shapes, like cubes and octahedra. There are 32 three-dimensional point groups, all of which are systematically divided into seven crystal systems.The basic cubic crystal system, exemplified by NaCl, features orthogonal vectors (α = β = �� = 90°) of equal lengths (a = b = c). When specific...
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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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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,...
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Related Experiment Video

Updated: Mar 25, 2026

Crystal Structure of the N-terminal Domain of Ryanodine Receptor from Plutella xylostella
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Crystal structure of pyrazoxyfen.

Eunjin Kwon1, Jineun Kim1, Gihaeng Kang1

  • 1Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea.

Acta Crystallographica. Section E, Crystallographic Communications
|February 13, 2016
PubMed
Summary

The benzoyl-pyrazole herbicide pyrazoxyfen was analyzed. Its crystal structure reveals molecular interactions including hydrogen bonds and pi-pi stacking, forming a 3D network.

Keywords:
aceto­phenonecrystal structureherbicidepyrazoxyfen

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Area of Science:

  • Agricultural Chemistry
  • Crystallography
  • Organic Chemistry

Background:

  • Pyrazoxyfen is a benzoyl-pyrazole herbicide.
  • Understanding its crystal structure is crucial for its application and development.

Purpose of the Study:

  • To determine the crystal structure of pyrazoxyfen.
  • To analyze the intermolecular interactions within the pyrazoxyfen crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was used to elucidate the molecular and crystal structure.
  • Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

Main Results:

  • The asymmetric unit contains two independent pyrazoxyfen molecules (A and B).
  • Specific dihedral angles were measured between the pyrazole, dichloro-phenyl, and phenyl rings.
  • Intermolecular interactions including C-H⋯O, C-H⋯N, C-H⋯π, π-π stacking, and C-Cl⋯π bonds were identified.
  • These interactions assemble into a three-dimensional crystal architecture.

Conclusions:

  • The detailed crystal structure of pyrazoxyfen has been determined.
  • The identified intermolecular interactions provide insights into the solid-state behavior of the herbicide.
  • This structural information can aid in the design of new herbicides with improved properties.