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

sym-Hexahydropyrene

A J Dobson1, R E Gerkin

  • 1Department of Chemistry, Ohio State University, Columbus 43210, USA.

Acta Crystallographica. Section C, Crystal Structure Communications
|December 15, 1996
PubMed
Summary
This summary is machine-generated.

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

Asthma severity and impact on perinatal outcomes: an updated systematic review and meta-analysis.

BJOG : an international journal of obstetrics and gynaecology·2021
Same author

Age at menarche and risk of vasomotor menopausal symptoms: a pooled analysis of six studies.

BJOG : an international journal of obstetrics and gynaecology·2020
Same author

Vasomotor menopausal symptoms and cardiovascular disease risk in midlife: A longitudinal study.

Maturitas·2020
Same author

Protective effect of hormone therapy among women with hysterectomy/oophorectomy.

Human reproduction (Oxford, England)·2017
Same author

Young women's psychological distress after a diagnosis of polycystic ovary syndrome or endometriosis.

Human reproduction (Oxford, England)·2016
Same author

Unit cohesion, traumatic exposure and mental health of military personnel.

Occupational medicine (Oxford, England)·2016
Same journal

Intermolecular C-H···O, Cl···Cl and π-π interactions in the 2-dichloromethyl derivative of vitamin K3.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese Physalis angulata L.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Transannular S···N interactions in 10-ethynyl-10H-phenothiazine 5-oxide and 5,5-dioxide.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen N-acetyl-L-glutamate from powder diffraction data.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Three-dimensional hydrogen-bonded assembly in 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione-dimethylformamide-water (3/2/4).

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene.

Acta crystallographica. Section C, Crystal structure communications·2013
See all related articles

This study details the molecular structure of 1,2,3,6,7,8-hexahydropyrene, revealing planar unsaturated rings and non-planar saturated rings with uniform C-C bond distances. Intermolecular interactions are consistent with van der Waals radii.

Area of Science:

  • Organic Chemistry
  • Crystallography
  • Molecular Structure

Background:

  • Polycyclic aromatic hydrocarbons (PAHs) are crucial in materials science and environmental studies.
  • Understanding the precise three-dimensional structure of partially saturated PAHs is key to predicting their properties and reactivity.
  • 1,2,3,6,7,8-hexahydropyrene represents a model system for studying the interplay between planar aromatic and non-planar saturated ring systems.

Purpose of the Study:

  • To elucidate the detailed molecular geometry of 1,2,3,6,7,8-hexahydropyrene.
  • To compare the non-planarity of its saturated rings with related polycyclic structures.
  • To analyze the bonding characteristics and intermolecular interactions within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.

Related Experiment Videos

  • Analysis of atomic coordinates to assess planarity and deviations from ideal geometries.
  • Bond length and distance measurements to quantify structural parameters.

    • Main Results:

    • The unsaturated rings of 1,2,3,6,7,8-hexahydropyrene are nearly planar, with a root-mean-square deviation of 0.006 (2) Å.
    • The saturated rings exhibit significant non-planarity, distinct from that observed in octahydrochrysene.
    • Carbon-carbon bond distances within the saturated rings are uniform, ranging from 1.505 (2) to 1.520 (2) Å.
    • Intermolecular distances exceed van der Waals radii, with closest contacts involving C...H and H...H interactions.

    Conclusions:

    • The study provides precise structural data for 1,2,3,6,7,8-hexahydropyrene, highlighting the distinct conformational behavior of its saturated rings.
    • The findings contribute to a deeper understanding of structure-property relationships in partially hydrogenated polycyclic aromatic hydrocarbons.
    • The observed intermolecular interactions are typical for neutral organic molecules in the solid state.