Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 829, Issue 1-3, Pages 208-211Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2006.06.032
Keywords
crystal structure; 1-methylpyrrol-2-yl trichloromethyl ketone; halogen bonding cooperative effect; anisotropy of chlorine electron charge distribution
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The crystal and molecular structure of 1-methylpyrrol-2-yl trichloromethyl ketone (PTK) was determined and the C-(ClO)-O-... halogen bonds were found. Additionally weak C-(HO)-O-... hydrogen bonds exist in this crystal structure. The motifs containing halogen bond and related through translation symmetry are observed in PTK structure. Hence the so-called halogen bonding cooperative effect is analyzed. The anisotropy of the electron charge density for Cl-atom within C-(ClO)-O-... contact in crystal of PTK was experimentally detected. (c) 2006 Elsevier B.V. All rights reserved.
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