The dearomatization was not successful - copying structures

User 0fa900b928

25-02-2015 10:50:12

Dear All,


I am running into a couple of problems with my coordination compounds when trying to include them in my excel sheet. One Problem is, if I try to include e.g. the following molecule by copying the structure from MarvinSketch to my excel sheet


[H]N1C(=O)C2=C(C1=O)C1=CC=C[N]3=C1C1=C2C2=CC=CC=C2N1[Ru]3(*)C=O.c1cccc1 |c:4,11,13,16,21,23,t:9,19,m:24:27.28.29.30.31|


I get the error message: The dearomatization was not successful. ChemAxon.NET.IKVM. Transformation.Aromatization.DearomatizerOptions instead of my molecule.


The molecule can be reopened fine, only the visualisation in the excel sheet fails. Any suggestions how to fix this?


Thanks very much!

ChemAxon 990acf0dec

25-02-2015 13:55:23

Hi Martinel,


 


I guess you are using an old JC4XL version, version number lower than 14.12.15.


By default, JChem for Excel tries to display aromatic structures in Kekule form, but the aromatic element in your structure cannot be converted to single/double bonds, since the negative charge is missing from the cyclopentadienyl ring. There are three ways to fix it:


- You upgrade to the latest version (or higher than 14.12.15; http://www.chemaxon.com/jchem4excel/changes/changes.html). It will enable to display in both forms on the same sheet (so if the structure cannot be converted to Kekule form, it will be displayed in aromatic form).


- You switch off the Aromatic Bonds as Discrete Double Bonds option in Options > Structure Display > Preferences - Bonds. In this case all aromatic rings will be displayed with a circle (ellipse) inside.


- You change the c1cccc1 part in your structure to c1cc[cH-]c1


 


Best regards,


 


Akos

User 0fa900b928

25-02-2015 14:18:57

Thank you Akos!


I already tried to update my running version but it seems the installation failed. After trying again everything works perfectly!