Synthesis, Crystal Structure, Ab Initio Studies and Fingerprint Plots of 2-Chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl acetate
Source: Journal of Chemical Crystallography, Volume 41, Number 11, November 2011 , pp. 1688-1693(6)
Abstract:2-Chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl acetate, C11H7ClO4 (Fig. 1), has been synthesized and the structure has been solved by IR and X-ray diffraction studies. The crystals are triclinic, space group P
The structure of 2-chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl acetate has two molecules in the asymmetric unit. The crystal packing is stabilized only by weak interactions. Ab nitio calculations for the free molecule show that the crystal packing has little influence on the molecular conformation.
Document Type: Research Article
Affiliations: 1: School of Industrial Technology, Universiti Sains Malaysia, Minden, 11800, Pulau Pinang, Malaysia, Email: firstname.lastname@example.org 2: School of Industrial Technology, Universiti Sains Malaysia, Minden, 11800, Pulau Pinang, Malaysia 3: CEMDRX, Physics Department, University of Coimbra, 3004-516, Coimbra, Portugal
Publication date: November 1, 2011