Hi, fellow users of Jmol
As was pointed out to me by another user on Wikimedia Commons, the 3D
structure of metamizole produced by Jmol upon searching for its name, is wrong
in its nitrogen geometry
<https://commons.wikimedia.org/wiki/User_talk:Fuse809#Nitrogen_geometry_in_File:Metazimole3Dan.gif>.
I would like to know how I could get the developers to integrate this
correction to Jmol drawing of metamizole's structure. The correct crystal
structure is (in xyz coordinates form; according
to doi:10.1107/S0567740879004271):
38
BVP86/cc-PVDZ scf done: -1369.314862
C 0.634952 10.049072 4.900129
C -0.038364 9.052812 5.625610
C -0.843603 9.404086 6.721280
C -0.967888 10.746974 7.078721
C -0.317360 11.745954 6.347432
C 0.482122 11.389915 5.258069
N 0.088512 7.682548 5.283073
N 0.524862 7.332867 3.979484
C 1.016111 6.033439 4.052906
C 1.037214 5.613638 5.356904
C 0.456058 6.652593 6.201473
C -0.418749 7.686282 2.908454
C 1.415171 5.281438 2.830834
N 1.587824 4.410206 5.852441
C 0.695266 3.536091 6.539780
S 0.466632 1.963130 5.547604
O 1.708338 1.174668 5.559744
O 0.313685 6.699922 7.422867
C 2.964673 4.465074 6.365693
O -0.210611 2.273661 4.290449
O -0.634313 1.159020 6.505778
H -0.141454 0.406631 6.889481
H -1.345054 8.622837 7.287776
H -1.589369 11.013825 7.934553
H -0.429995 12.793897 6.626878
H 1.005549 12.158525 4.687515
H 1.289838 9.765864 4.076298
H -1.364716 7.127508 2.998793
H 0.053315 7.462436 1.945681
H -0.625790 8.761093 2.953974
H 0.547989 5.057675 2.191339
H 2.145811 5.841566 2.228931
H 1.854760 4.324136 3.132627
H -0.315695 3.946934 6.648080
H 1.067111 3.196537 7.517244
H 3.601787 4.973633 5.631670
H 3.344097 3.442734 6.490780
H 3.030898 5.004553 7.327684
Thanks for your time,
Brenton
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