CCL: Help with halogen bonding

 Sent to CCL by: "John" [john .. ccdc.cam.ac.uk]
 Dear Maria,
      I don't know the answer to your question. However there are several
 resources I can point you to. For literature on this matter you could try
 searching our WebCite literature database, under the category "Hydrogen
 bonding and Other Interactions"
  http://www.ccdc.cam.ac.uk/free_services/webcite/
  This database tries to encompass those papers that make use of the
 Cambridge Structural Database,
 http://www.ccdc.cam.ac.uk/products/csd/
  If you wish to carry out your own investigation of experimentally
 determined halogen interactions then the Isostar module of the Cambridge
 Structural Database System may be of interest to you. Isostar is a knowledge
 base of molecular interactions in small molecule and protein//ligand crystal
 structures and the type of interactions you are interested in will be
 represented.
 http://www.ccdc.cam.ac.uk/products/csd_system/isostar/
 Please feel free to contact admin : ccdc.cam.ac.uk for further information.
 Your organisation may already have access to the database and to Mogul and,
 if so, we can tell you who you should contact.
       Regards
               John
 -----Original Message-----
 > From: owner-chemistry+ccdc-announce==ccdc.cam.ac.uk : ccl.net
 [mailto:owner-chemistry+ccdc-announce==ccdc.cam.ac.uk :
 ccl.net] On Behalf Of
 Mariya al-Rashida maria_al_rashida(!)hotmail.com
 Sent: 14 May 2010 08:28
 To: Rutland, Anne
 Subject: CCL: Help with halogen bonding
 Sent to CCL by: "Mariya  al-Rashida" [maria_al_rashida~!~hotmail.com]
 Hello everyone
 Im currently investigating crystal structures of some organic halogen
 compounds. I'm pretty sure i've come across some "Halogen Bonds"
 [haolgen
 bonds are non covalent interactions C-X...Y where X = halogen acting as
 lewis acceptor and Y = N or O acting lewis base]. What i know from
 literature, both exp and theoretical is that these interactions are found at
 distances equal to or slightly shorter than sum of van der wall radii.
 Whereas i'm getting these interactions at distance which is equal to sum of
 van der wall radii + 0.1. Does this still count as a halogen bond ??? Or
 should it be rather a weak type of haolgen bonding?
 Also does anyone know of any relavent theoretical literature for halogen
 bonding
 Your comments will be highly apreciated
 Mariiyahttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txtLEGAL
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