CER - Central Repository
Institute of Chemistry, Technology and Metallurgy
    • English
    • Српски
    • Српски (Serbia)
  • English 
    • English
    • Serbian (Cyrillic)
    • Serbian (Latin)
  • Login
View Item 
  •   CER
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
  •   CER
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Influence of supramolecular structure in the crystals on water/aromatic parallel alignment interactions

Thumbnail
2013
Janjic_chimia2013_3.pdf (1.988Mb)
Authors
Janjić, Goran
Milčić, Miloš
Medaković, Vesna
Article (Published version)
Metadata
Show full item record
Abstract
The parallel alignment interactions between water molecules and C-6-aryl groups in crystal structures and influence of supramolecular structures in crystals were studied by analyzing data in the Cambridge Structural Database (CSD). Analyses of crystal structures from the CSD reveal that the water/aromatic parallel alignment interactions, where the water molecule or one of its O-H bonds is parallel to the aromatic ring plane, are very frequent at large horizontal displacements. These orientations, observed in crystal structures, were compared with the results of ab initio calculations and explained by influence of supramolecular structures in crystals.
Keywords:
water/aromatic parallel alignment interactions / crystal structures / influence of supramolecular structures in crystals
Source:
Studia Universitatis Babes-Bolyai Chemia, 2013, 58, 3, 143-154
Publisher:
  • Univ Babes-Bolyai, Cluj-Napoca
Funding / projects:
  • Noncovalent interactions of pi-systems and their role in molecular recognition (RS-172065)

ISSN: 1224-7154

WoS: 000342728300016

Scopus: 2-s2.0-84887160018
[ Google Scholar ]
2
Handle
https://hdl.handle.net/21.15107/rcub_cherry_1856
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/1246
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Janjić, Goran
AU  - Milčić, Miloš
AU  - Medaković, Vesna
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1246
AB  - The parallel alignment interactions between water molecules and C-6-aryl groups in crystal structures and influence of supramolecular structures in crystals were studied by analyzing data in the Cambridge Structural Database (CSD). Analyses of crystal structures from the CSD reveal that the water/aromatic parallel alignment interactions, where the water molecule or one of its O-H bonds is parallel to the aromatic ring plane, are very frequent at large horizontal displacements. These orientations, observed in crystal structures, were compared with the results of ab initio calculations and explained by influence of supramolecular structures in crystals.
PB  - Univ Babes-Bolyai, Cluj-Napoca
T2  - Studia Universitatis Babes-Bolyai Chemia
T1  - Influence of supramolecular structure in the crystals on water/aromatic parallel alignment interactions
VL  - 58
IS  - 3
SP  - 143
EP  - 154
UR  - https://hdl.handle.net/21.15107/rcub_cherry_1856
ER  - 
@article{
author = "Janjić, Goran and Milčić, Miloš and Medaković, Vesna",
year = "2013",
abstract = "The parallel alignment interactions between water molecules and C-6-aryl groups in crystal structures and influence of supramolecular structures in crystals were studied by analyzing data in the Cambridge Structural Database (CSD). Analyses of crystal structures from the CSD reveal that the water/aromatic parallel alignment interactions, where the water molecule or one of its O-H bonds is parallel to the aromatic ring plane, are very frequent at large horizontal displacements. These orientations, observed in crystal structures, were compared with the results of ab initio calculations and explained by influence of supramolecular structures in crystals.",
publisher = "Univ Babes-Bolyai, Cluj-Napoca",
journal = "Studia Universitatis Babes-Bolyai Chemia",
title = "Influence of supramolecular structure in the crystals on water/aromatic parallel alignment interactions",
volume = "58",
number = "3",
pages = "143-154",
url = "https://hdl.handle.net/21.15107/rcub_cherry_1856"
}
Janjić, G., Milčić, M.,& Medaković, V.. (2013). Influence of supramolecular structure in the crystals on water/aromatic parallel alignment interactions. in Studia Universitatis Babes-Bolyai Chemia
Univ Babes-Bolyai, Cluj-Napoca., 58(3), 143-154.
https://hdl.handle.net/21.15107/rcub_cherry_1856
Janjić G, Milčić M, Medaković V. Influence of supramolecular structure in the crystals on water/aromatic parallel alignment interactions. in Studia Universitatis Babes-Bolyai Chemia. 2013;58(3):143-154.
https://hdl.handle.net/21.15107/rcub_cherry_1856 .
Janjić, Goran, Milčić, Miloš, Medaković, Vesna, "Influence of supramolecular structure in the crystals on water/aromatic parallel alignment interactions" in Studia Universitatis Babes-Bolyai Chemia, 58, no. 3 (2013):143-154,
https://hdl.handle.net/21.15107/rcub_cherry_1856 .

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

re3dataOpenAIRERCUB
 

 

All of DSpaceInstitutions/communitiesAuthorsTitlesSubjectsThis institutionAuthorsTitlesSubjects

Statistics

View Usage Statistics

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

re3dataOpenAIRERCUB