caa a22 4500 463184548 CHVBK 20180406164848.0 cr unu---uuuuu 170326e20070301xx s 000 0 eng 10.1007/s10870-006-9173-6 doi (NATIONALLICENCE)springer-10.1007/s10870-006-9173-6 C-H...O, C-H...π and π-π stacking interactions in 3-(2,4-dimethylphenyloxymethyl)-3,4-dihydroisocoumarin [Elektronische Daten] [Sanjeev Goswami, Vivek Gupta, D. Brahmbhatt, U. Pandya] 3-(2,4-Dimethylphenyloxymethyl)-3,4-dihydroisocoumarin (C18H18O3) was prepared by the alkylation of o-lithio N-methyl benzamide with 2-(2,4-dimethylphenoxy)methyl oxirane, followed by alkaline hydrolysis. The compound crystallizes in the orthorhombic space group Pbca with unit cell parameters : a=8.239(2)Å, b=14.918(5)Å, c=24.831(9)Å, Z=8. The crystal structure was solved by direct methods and refined to R=0.0514 for 1564 observed reflections. The heterocyclic ring adopts a distorted half-chair conformation. Molecules are connected by π-π interactions between phenyl rings of the isocoumarin nucleus forming dimers. Dimers are connected via C-H...O hydrogen bonds forming chains. Further intermolecular C-H...π hydrogen bonds link the dimer chains to form supramolecular structure. Springer Science+Business Media, LLC, 2007 Crystal structure nationallicence isocoumarin nationallicence hydrogen bond nationallicence π-π interaction nationallicence dimer nationallicence supramolecule nationallicence Goswami Sanjeev Department of Physics, University of Jammu, 180 006, Jammu Tawi, India aut Gupta Vivek Department of Physics, University of Jammu, 180 006, Jammu Tawi, India aut Brahmbhatt D. Department of Chemistry, Sardar Patel University, 388 120, Vallabh Vidyanagar, India aut Pandya U. Department of Chemistry, Sardar Patel University, 388 120, Vallabh Vidyanagar, India aut Journal of Chemical Crystallography Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 37/3(2007-03-01), 213-217 1074-1542 37:3<213 2007 37 10870 https://doi.org/10.1007/s10870-006-9173-6 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10870-006-9173-6 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Goswami Sanjeev Department of Physics, University of Jammu, 180 006, Jammu Tawi, India aut NATIONALLICENCE 700 1- Gupta Vivek Department of Physics, University of Jammu, 180 006, Jammu Tawi, India aut NATIONALLICENCE 700 1- Brahmbhatt D. Department of Chemistry, Sardar Patel University, 388 120, Vallabh Vidyanagar, India aut NATIONALLICENCE 700 1- Pandya U. Department of Chemistry, Sardar Patel University, 388 120, Vallabh Vidyanagar, India aut NATIONALLICENCE 773 0- Journal of Chemical Crystallography Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 37/3(2007-03-01), 213-217 1074-1542 37:3<213 2007 37 10870 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer