A(--) vs. A(2-)

User 870ab5b546

05-09-2008 14:40:42

In the molecule below, Marvin shows the double negative charge as two minus charges, --. But the gap between them is so small that it's hard to tell that they are two minuses, not just one. Either increase the gap between the two - signs, or just use 2-. Interestingly, if there is no radical state indicated on the atom, Marvin does use the 2- depiction.





Code:
<?xml version="1.0" ?>


<cml>


<MDocument>


  <MChemicalStruct>


    <molecule molID="m1">


      <atomArray


          atomID="a1 a2 a3"


          elementType="C C C"


          formalCharge="-2 0 0"


          radical="divalent 0 0"


          x2="-4.400000095367432 -5.940000095367432 -4.798581424825313"


          y2="1.375 1.3750000000000002 2.8625257724851654"


          />


      <bondArray>


        <bond atomRefs2="a1 a2" order="1" />


        <bond atomRefs2="a1 a3" order="1" />


      </bondArray>


    </molecule>


  </MChemicalStruct>


</MDocument>


</cml>

ChemAxon e500b51457

08-09-2008 11:02:03

Dear Bob,





You are right, it's hard to see the two minuses of the double negative charge. The IUPAC recommendation is 2- (http://www.iupac.org/reports/provisional/abstract04/RB-prs310804/Chap3-3.04.pdf),


so we will use the "2-" depiction instead of "--".





Best regards,


Erika

ChemAxon e500b51457

30-01-2009 12:50:55

Dear Bob,





The charge drawing improvement is going to be ready in Marvin 5.2.





Best regards,


Erika.