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Geometry for S4N4 (Tetrasulfur tetranitride) 1A1 D2D

1910171554
InChI=1S/N4S4/c1-5-2-7-4-8-3-6-1 INChIKey=LTPQFVPQTZSJGS-UHFFFAOYNA-N

PBEPBEultrafine/6-31G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.3433 1.3433 0.0000   1.3433 1.3433 0.0000
N2 -1.3433 1.3433 0.0000   1.3433 -1.3433 0.0000
N3 -1.3433 -1.3433 0.0000   -1.3433 -1.3433 0.0000
N4 1.3433 -1.3433 0.0000   -1.3433 1.3433 0.0000
S5 0.0000 1.4433 0.9690   1.4433 0.0000 0.9690
S6 0.0000 -1.4433 0.9690   -1.4433 0.0000 0.9690
S7 1.4433 0.0000 -0.9690   0.0000 1.4433 -0.9690
S8 -1.4433 0.0000 -0.9690   0.0000 -1.4433 -0.9690
Atom - Atom Distances (Å)
  N1 N2 N3 N4 S5 S6 S7 S8
N1 2.6865 3.7993 2.6865 1.6593 3.2416 1.6593 3.2416
N2 2.6865 2.6865 3.7993 1.6593 3.2416 3.2416 1.6593
N3 3.7993 2.6865 2.6865 3.2416 1.6593 3.2416 1.6593
N4 2.6865 3.7993 2.6865 3.2416 1.6593 1.6593 3.2416
S5 1.6593 1.6593 3.2416 3.2416 2.8865 2.8146 2.8146
S6 3.2416 3.2416 1.6593 1.6593 2.8865 2.8146 2.8146
S7 1.6593 3.2416 3.2416 1.6593 2.8146 2.8146 2.8865
S8 3.2416 1.6593 1.6593 3.2416 2.8146 2.8146 2.8865
Maximum atom distance is 3.7993Å between atoms N1 and N3.
picture of Tetrasulfur tetranitride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 S5 N2 108.099 N1 S7 N4 108.099
N2 S8 N3 108.099 N3 S6 N4 108.099
S5 N1 S7 116.015 S5 N2 S8 116.015
S6 N3 S8 116.015 S6 N4 S7 116.015

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.