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 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 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.