Influence of supramolecular structure in the crystals on water/aromatic parallel alignment interactions
Апстракт
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.
Кључне речи:
water/aromatic parallel alignment interactions / crystal structures / influence of supramolecular structures in crystalsИзвор:
Studia Universitatis Babes-Bolyai Chemia, 2013, 58, 3, 143-154Издавач:
- Univ Babes-Bolyai, Cluj-Napoca
Финансирање / пројекти:
Институција/група
IHTMTY - 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 .