St Andrews Research Repository

St Andrews University Home
View Item 
  •   St Andrews Research Repository
  • University of St Andrews Research
  • University of St Andrews Research
  • University of St Andrews Research
  • View Item
  •   St Andrews Research Repository
  • University of St Andrews Research
  • University of St Andrews Research
  • University of St Andrews Research
  • View Item
  •   St Andrews Research Repository
  • University of St Andrews Research
  • University of St Andrews Research
  • University of St Andrews Research
  • View Item
  • Login
JavaScript is disabled for your browser. Some features of this site may not work without it.

The crystal structure of 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine : a three-dimensional hydrogen-bonded framework, augmented by π-π stacking interactions and I···N halogen bonds

Thumbnail
View/Open
Mahesha_2019_ACCCE_Crystalstructure_CC.pdf (1.058Mb)
Date
01/02/2019
Author
Mahesha, Ninganayaka
Yathirajan, Hemmige S.
Furuya, Tetsundo
Akitsu, Takashiro
Glidewell, Christopher
Keywords
Pyrimidine
Piperazine
Crystal structure
Molecular conformation
Hydrogen bonding
Supramolecular assembly
QD Chemistry
DAS
Metadata
Show full item record
Altmetrics Handle Statistics
Altmetrics DOI Statistics
Abstract
In 1-(2-iodo­benzo­yl)-4-(pyrimidin-2-yl)piperazine, C15H 15IN 4O, the central piperazine ring adopts an almost perfect chair conformation with the pyrimidine substituent in an equatorial site. The planar amide unit makes a dihedral angle of 80.44 (7)° with the phenyl ring. A combination of C—H⋯O and C—H⋯π(arene) hydrogen bonds links the mol­ecules into a complex three-dimensional network structure, augmented by a π– π stacking inter­action and an I⋯N halogen bond, all involving different pairs of inversion-related mol­ecules. Comparisons are made with the structures of a number of related compounds.
Citation
Mahesha , N , Yathirajan , H S , Furuya , T , Akitsu , T & Glidewell , C 2019 , ' The crystal structure of 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine : a three-dimensional hydrogen-bonded framework, augmented by π-π stacking interactions and I···N halogen bonds ' , Acta Crystallographica Section E , vol. 75 , no. 2 , pp. 129-133 . https://doi.org/10.1107/S205698901801811X
Publication
Acta Crystallographica Section E
Status
Peer reviewed
DOI
https://doi.org/10.1107/S205698901801811X
ISSN
2056-9890
Type
Journal article
Rights
Copyright © 2019 The Author(s). This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Description
HSY is grateful to the UGC, New Delhi for the award of a BSR Faculty Fellowship for three years.
Collections
  • University of St Andrews Research
URI
http://hdl.handle.net/10023/17038

Items in the St Andrews Research Repository are protected by copyright, with all rights reserved, unless otherwise indicated.

Advanced Search

Browse

All of RepositoryCommunities & CollectionsBy Issue DateNamesTitlesSubjectsClassificationTypeFunderThis CollectionBy Issue DateNamesTitlesSubjectsClassificationTypeFunder

My Account

Login

Open Access

To find out how you can benefit from open access to research, see our library web pages and Open Access blog. For open access help contact: openaccess@st-andrews.ac.uk.

Accessibility

Read our Accessibility statement.

How to submit research papers

The full text of research papers can be submitted to the repository via Pure, the University's research information system. For help see our guide: How to deposit in Pure.

Electronic thesis deposit

Help with deposit.

Repository help

For repository help contact: Digital-Repository@st-andrews.ac.uk.

Give Feedback

Cookie policy

This site may use cookies. Please see Terms and Conditions.

Usage statistics

COUNTER-compliant statistics on downloads from the repository are available from the IRUS-UK Service. Contact us for information.

© University of St Andrews Library

University of St Andrews is a charity registered in Scotland, No SC013532.

  • Facebook
  • Twitter