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
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 .
