Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry.

Simple item page
dc.contributor.authorDikundwar, AGen_AU
dc.contributor.authorVenkateswarlu, Cen_AU
dc.contributor.authorPiltz, ROen_AU
dc.contributor.authorChandrasekaran, Sen_AU
dc.contributor.authorRow, TNGen_AU
dc.date.accessioned2011-03-30T04:34:32Zen_AU
dc.date.available2011-03-30T04:34:32Zen_AU
dc.date.issued2011-03-07en_AU
dc.date.statistics2011-03-07en_AU
dc.description.abstractConformational features and supramolecular structural organization in three aryl biscarbonates and an aryl biscarbamate with rigid acetylenic unit providing variable spacer lengths have been probed to gain insights into the packing features associated with molecular symmetry and the intermolecular interactions involving ‘organic’ fluorine. Four structures but-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate), 1; but-2-yne-1,4-diyl bis(4-fluorophenylcarbonate), 2; but-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbamate), 3 and hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate), 4 have been analyzed in this context. Compound 1 adopts a non-centrosymmetric “twisted” (syn) conformation, whereas 2, 3 and 4 acquire a centrosymmetric “extended” (anti) conformation. Weak intermolecular interactions and in particular those involving fluorine are found to dictate this conformational variation in the crystal structure of 1. A single-crystal neutron diffraction study at 90 K was performed on 1 to obtain further insights into these interactions involving ‘organic’ fluorine. © 2011, Royal Society of Chemistryen_AU
dc.identifier.citationDikundwar, A. G., Venkateswarlu, C., Piltz, R. O., Chandrasekaran, S., & Row, T. N. G. (2011). Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry. Crystengcomm, 13(5), 1531-1538. doi:10.1039/c0ce00537aen_AU
dc.identifier.govdoc3327en_AU
dc.identifier.issn1466-8033en_AU
dc.identifier.issue5en_AU
dc.identifier.journaltitleCrystengcommen_AU
dc.identifier.pagination1531-1538en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/c0ce00537aen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/3160en_AU
dc.identifier.volume13en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectCrystal structureen_AU
dc.subjectOrganic fluorine compoundsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectInteractionsen_AU
dc.subjectMoleculesen_AU
dc.subjectSymmetryen_AU
dc.titleCrystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry.en_AU
dc.typeJournal Articleen_AU
Files
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Journal Articles