crystal structure of 5-tert-butyl-10,15,20-triphenylporphyrin

Clicks: 125
ID: 215928
2016
Free PDF
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This article has not been analysed, so there is no overall score — reader engagement is measured and shown alongside.
AI Quality Assessment
Not analyzed
Readership in this journal
Steady

Ranked #206 of 231 articles by views in Disability and rehabilitation

Most read Least read

Bar heights use a square-root scale. Only the 120 most-read articles are drawn; the journal has 231 in total.

Mint this article as an NFT
Not yet minted

Create a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.

5 SUSD one-off · no wallet required
Sign in to mint
Abstract
In the title free base porphyrin, C42H34N4, the neighbouring N...N distances in the center of the ring vary from 2.818 (8) to 2.998 (8) Å and the phenyl rings are tilted from the 24-atom mean plane at angles varying between 62.42 (2)–71.63 (2)°. The NH groups are involved in intramolecular bifurcated N—H...(N,N) hydrogen bonds. The Ca—Cm—Ca angles vary slightly for the phenyl rings, between 124.19 (18)–126.17 (18)°. The largest deviation from the mean plane of the 24-atom macrocycle is associated with the meso carbon at the substituted tert-butyl position, which is displaced from the mean plane by 0.44 (2) Å. The free base porphyrin is characterized by a significant degree of ruffled (B1u) distortion with contributions from domed (A2u) and wave [Eg(y) and Eg(x)] modes. In the crystal, molecules are linked by a number of weak C—H...π interactions, forming a three-dimensional framework. The structure was refined as a two-component inversion twin.
Reference Key
flanagan2016actacrystal Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Keith J. Flanagan, Ebrahim Mohamed Mothi, Lisa Kötzner, Mathias O. Senge
Are you one of these authors? Claim your profile
Journal Disability and rehabilitation
Year 2016
DOI
10.1107/S2056989016000025
URL
http://scripts.iucr.org/cgi-bin/paper?S2056989016000025
Keywords
chemistry crystal structure non-planar porphyrins

Citations

No citations found. To add a citation, contact the admin at info@scimatic.org

Comments

No comments yet. Be the first to comment on this article.