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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

mPW1PW91/6-31G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.3089 1.3089 0.0000   1.3089 1.3089 0.0000
N2 -1.3089 1.3089 0.0000   1.3089 -1.3089 0.0000
N3 -1.3089 -1.3089 0.0000   -1.3089 -1.3089 0.0000
N4 1.3089 -1.3089 0.0000   -1.3089 1.3089 0.0000
S5 0.0000 1.3796 0.9723   1.3796 0.0000 0.9723
S6 0.0000 -1.3796 0.9723   -1.3796 0.0000 0.9723
S7 1.3796 0.0000 -0.9723   0.0000 1.3796 -0.9723
S8 -1.3796 0.0000 -0.9723   0.0000 -1.3796 -0.9723
Atom - Atom Distances (Å)
  N1 N2 N3 N4 S5 S6 S7 S8
N1 2.6178 3.7021 2.6178 1.6321 3.1443 1.6321 3.1443
N2 2.6178 2.6178 3.7021 1.6321 3.1443 3.1443 1.6321
N3 3.7021 2.6178 2.6178 3.1443 1.6321 3.1443 1.6321
N4 2.6178 3.7021 2.6178 3.1443 1.6321 1.6321 3.1443
S5 1.6321 1.6321 3.1443 3.1443 2.7593 2.7547 2.7547
S6 3.1443 3.1443 1.6321 1.6321 2.7593 2.7547 2.7547
S7 1.6321 3.1443 3.1443 1.6321 2.7547 2.7547 2.7593
S8 3.1443 1.6321 1.6321 3.1443 2.7547 2.7547 2.7593
Maximum atom distance is 3.7021Å 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 106.642 N1 S7 N4 106.642
N2 S8 N3 106.642 N3 S6 N4 106.642
S5 N1 S7 115.115 S5 N2 S8 115.115
S6 N3 S8 115.115 S6 N4 S7 115.115

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