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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

PBEPBE/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 1.4442 0.9688   1.4442 0.0000 0.9688
S6 0.0000 -1.4442 0.9688   -1.4442 0.0000 0.9688
S7 1.4442 0.0000 -0.9688   0.0000 1.4442 -0.9688
S8 -1.4442 0.0000 -0.9688   0.0000 -1.4442 -0.9688
Atom - Atom Distances (Å)
  N1 N2 N3 N4 S5 S6 S7 S8
N1 2.6866 3.7995 2.6866 1.6593 3.2424 1.6593 3.2424
N2 2.6866 2.6866 3.7995 1.6593 3.2424 3.2424 1.6593
N3 3.7995 2.6866 2.6866 3.2424 1.6593 3.2424 1.6593
N4 2.6866 3.7995 2.6866 3.2424 1.6593 1.6593 3.2424
S5 1.6593 1.6593 3.2424 3.2424 2.8883 2.8152 2.8152
S6 3.2424 3.2424 1.6593 1.6593 2.8883 2.8152 2.8152
S7 1.6593 3.2424 3.2424 1.6593 2.8152 2.8152 2.8883
S8 3.2424 1.6593 1.6593 3.2424 2.8152 2.8152 2.8883
Maximum atom distance is 3.7995Å 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 108.109 N1 S7 N4 108.109
N2 S8 N3 108.109 N3 S6 N4 108.109
S5 N1 S7 116.060 S5 N2 S8 116.060
S6 N3 S8 116.060 S6 N4 S7 116.060

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