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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

QCISD/3-21G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.3294 1.3294 0.0000   1.3294 1.3294 0.0000
N2 -1.3294 1.3294 0.0000   -1.3294 1.3294 0.0000
N3 -1.3294 -1.3294 0.0000   -1.3294 -1.3294 0.0000
N4 1.3294 -1.3294 0.0000   1.3294 -1.3294 0.0000
S5 0.0000 1.4466 0.9694   0.0000 1.4466 0.9694
S6 0.0000 -1.4466 0.9694   0.0000 -1.4466 0.9694
S7 1.4466 0.0000 -0.9694   1.4466 0.0000 -0.9694
S8 -1.4466 0.0000 -0.9694   -1.4466 0.0000 -0.9694
Atom - Atom Distances (Å)
  N1 N2 N3 N4 S5 S6 S7 S8
N1 2.6588 3.7601 2.6588 1.6495 3.2270 1.6495 3.2270
N2 2.6588 2.6588 3.7601 1.6495 3.2270 3.2270 1.6495
N3 3.7601 2.6588 2.6588 3.2270 1.6495 3.2270 1.6495
N4 2.6588 3.7601 2.6588 3.2270 1.6495 1.6495 3.2270
S5 1.6495 1.6495 3.2270 3.2270 2.8932 2.8186 2.8186
S6 3.2270 3.2270 1.6495 1.6495 2.8932 2.8186 2.8186
S7 1.6495 3.2270 3.2270 1.6495 2.8186 2.8186 2.8932
S8 3.2270 1.6495 1.6495 3.2270 2.8186 2.8186 2.8932
Maximum atom distance is 3.7601Å 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 107.402 N1 S7 N4 107.402
N2 S8 N3 107.402 N3 S6 N4 107.402
S5 N1 S7 117.384 S5 N2 S8 117.384
S6 N3 S8 117.384 S6 N4 S7 117.384

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