Problems with drawing NO+

User 0bd39eaa05

20-03-2012 18:06:20

I was trying to draw a NO+.


MarvinSketch was doing fine until I added the charge. Please take a look at the attached picture. It added an additional H-Atom instead of removing the existing one. The other resonance structure is drawn in the correct way.


Is there a way to create a correct NO+ within MarvinSketch? I need this for a reaction. It is important that the charge is at the N-Atom.


I use MarvinSketch 5.9 on Linux.

ChemAxon f052bdfe3c

20-03-2012 22:31:20

In the first case setting "View>Implicit Hydrogen>Off" could solve the problem.
In the second case, there is a painting bug which we will fix. Thank you for highlighting it.


Best Regards,


Efi

User 0bd39eaa05

21-03-2012 08:11:18

Thank you for the fast reply, but sadly this workaround is not good for my intentions.


I want to draw the mechanism of a diazotization, see first picture. It looks rather strange without all the H-atoms, and this is an example with only few terminal H-atoms. Especially the subsequent reaction where a water molecule substitutes the diazonium-ion looks really strange. Note that the diazonium-ion would be as well depicted with two H-atoms when the H-atoms are turned on.


I brought along another example: the indamine dyes. The second picture shows the same problem with the added H-atoms. The lower line is without the H-atoms, but again the other groups look strange.


 


I tried to insert an N+ manually by clicking on an atom and using the keyboard to insert the group but the option wasn't available.


A solution I can think of is the option to set the show/hide H-atoms for atoms/molecules/highlighted groups manually. Is this possible?


 


Best Regards,


jube

ChemAxon f052bdfe3c

21-03-2012 16:14:10

Now, I can see it is a valance checking bug, I reported it to our core team.

User 0bd39eaa05

21-03-2012 16:25:40

Thank you.


Best Regards, jube

User 851ac690a0

21-03-2012 20:14:58

Hi,


 


Try to do this:


1. Right click on the "N" atom.


2, A pop up menu will be appearing. See the attached fig 1.


 3. Set the required valence property of the N atom. For example "0" means that no chemical bond allowed for the  "N" atom.


4. Set the required charge/radical  on the "N" atom. 


 


You can visible or hide the valence property label with  as outlined on  fig. 2


1. Click on the "View" menu


2. Click on the "Misc"


3. Switch on or off the "Valence" property


 


Jozsi

User 0bd39eaa05

23-03-2012 05:27:41

This works, thank you!


Best Regards, jube

User 870ab5b546

03-04-2012 15:24:55

A more appropriate solution is to set the radical state of the N atom to divalent or divalent singlet.  When you write (+)N=O, the N atom is a nitrene, the N analog of a carbene; it has six total electrons in its shell.