Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

5-(4-Chloro-phen-oxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

N Vinutha1, S Madan Kumar1, S Shobhitha2

  • 1Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India.

Acta Crystallographica. Section E, Structure Reports Online
|May 27, 2014
PubMed
Summary

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Crystal structure and Hirshfeld surface analysis of 3-acetyl-11-keto-β-boswellic acid.

Acta crystallographica. Section E, Crystallographic communications·2026
Same author

Development and Validation of a Streamlined Multiplex RT-PCR Assay for Accurate SARS-CoV-2 Detection in Diverse Healthcare Environments.

Current microbiology·2026
Same author

Noncovalent interaction analysis and bioactivity evaluation of a novel chlorinated Schiff compound.

Journal of biomolecular structure & dynamics·2025
Same author

Investigation of the molecular basis of halogenated Schiff base derivative by combined crystallographic and computational studies.

Journal of biomolecular structure & dynamics·2024
Same author

Perusal on the role of DMF solvent and hydrogen bonding in the formation of 1D polymeric chains in mixed ligand Ni(II) complex as an anticancer agent: a computational approach.

Journal of biomolecular structure & dynamics·2023
Same author

Nickel vanadate nitrogen-doped carbon nanocomposites for high-performance supercapacitor electrode.

Heliyon·2023

This study details the crystal structure of a novel chloro-substituted organic compound. Molecular interactions, including hydrogen bonds and pi-stacking, dictate its unique crystal packing and intermolecular contacts.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Understanding the relationship between molecular structure and crystal packing is crucial in materials science.
  • Pyrazole derivatives are known for their diverse biological and chemical properties.
  • Detailed crystallographic analysis provides insights into intermolecular forces.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound C17H13ClN2O2.
  • To investigate the intermolecular interactions governing the crystal packing.
  • To analyze the spatial arrangement of phenyl and chloro-benzene rings relative to the pyrazole core.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.

Related Experiment Videos

  • Analysis of C-H···π interactions and C-H···O hydrogen bonds was performed.
  • Intermolecular distances and angles were measured to characterize crystal packing.

    • Main Results:

    • The crystal structure of C17H13ClN2O2 was successfully determined.
    • Phenyl and chloro-benzene rings exhibit specific inclinations (40.84° and 65.30°) to the central pyrazole ring.
    • Molecules form inversion dimers via C-H···π interactions and further assemble into columns through C-H···O hydrogen bonds.
    • Short intermolecular O···Cl contacts (3.0913 Å) were observed.

    Conclusions:

    • The crystal packing is dictated by a combination of C-H···π and C-H···O interactions, leading to a columnar structure.
    • The observed O···Cl contacts suggest potential for specific intermolecular associations.
    • This structural characterization provides a foundation for understanding the properties and potential applications of this compound.