MarvinSketch: electron flow arrow won't terminate in a bond

User 62a37f4796

11-11-2009 21:15:29

For this ring closure mechanism to work properly the lone pair from the nitrogen has to be pushed into a bond to the carbon across the gap.


I can get the 2 Electron EF arrow to start at the N, but I can only get it to terminate on the C instead of on the gap to the C. I seem to be able to get it to close to the gap for any of the other non-adjacent C (or even the I) atoms, but not the one it's supposed to go to.


Are there restrictions on certain electron movements? Why won't this one close?


 


MarvinSketch 5.2.4 on XP SP3

ChemAxon 990acf0dec

12-11-2009 16:29:03

Hi Michiel,


Thanks for the report; we will fix this issue soon.


Best regards,


Akos

User 870ab5b546

15-11-2009 16:37:01

Here the problem is that the C and the N are within bonding distance.  You would be able to draw the desired arrow just fine if you moved the C atom down a bit, away from the N.


But I agree, the tool for drawing electron-flow arrows needs to be improved in this case.