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Geometry for S8 (Octasulfur) 1A1 D4D

1910171554
InChI=1S/S8/c1-2-4-6-8-7-5-3-1 INChIKey=JLQNHALFVCURHW-UHFFFAOYSA-N

MP3/6-31G*


Point group is D4d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 2.3723 0.5031   2.3723 0.0000 0.5031
S2 2.3723 0.0000 0.5031   0.0000 2.3723 0.5031
S3 0.0000 -2.3723 0.5031   -2.3723 0.0000 0.5031
S4 -2.3723 0.0000 0.5031   0.0000 -2.3723 0.5031
S5 -1.6775 1.6775 -0.5031   1.6775 -1.6775 -0.5031
S6 -1.6775 -1.6775 -0.5031   -1.6775 -1.6775 -0.5031
S7 1.6775 -1.6775 -0.5031   -1.6775 1.6775 -0.5031
S8 1.6775 1.6775 -0.5031   1.6775 1.6775 -0.5031
Atom - Atom Distances (Å)
  S1 S2 S3 S4 S5 S6 S7 S8
S1 3.3550 4.7446 3.3550 2.0759 4.4975 4.4975 2.0759
S2 3.3550 3.3550 4.7446 4.4975 4.4975 2.0759 2.0759
S3 4.7446 3.3550 3.3550 4.4975 2.0759 2.0759 4.4975
S4 3.3550 4.7446 3.3550 2.0759 2.0759 4.4975 4.4975
S5 2.0759 4.4975 4.4975 2.0759 3.3550 4.7446 3.3550
S6 4.4975 4.4975 2.0759 2.0759 3.3550 3.3550 4.7446
S7 4.4975 2.0759 2.0759 4.4975 4.7446 3.3550 3.3550
S8 2.0759 2.0759 4.4975 4.4975 3.3550 4.7446 3.3550
Maximum atom distance is 4.7446Å between atoms S5 and S7.
picture of Octasulfur
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S5 S4 107.818 S1 S8 S2 107.818
S2 S7 S3 107.818 S3 S6 S4 107.818
S5 S1 S8 107.818 S5 S4 S6 107.818
S6 S3 S7 107.818 S7 S2 S8 107.818

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