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Geometry for C2H4S (Thiirane) 1A1 C2V

1910171554
InChI=1S/C2H4S/c1-2-3-1/h1-2H2 INChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N

wB97X-D/CEP-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9123   0.9123 0.0000 0.0000
C2 0.0000 0.7510 -0.8468   -0.8468 0.7510 0.0000
C3 0.0000 -0.7510 -0.8468   -0.8468 -0.7510 0.0000
H4 -0.9206 1.2728 -1.1088   -1.1088 1.2728 -0.9206
H5 0.9206 1.2728 -1.1088   -1.1088 1.2728 0.9206
H6 0.9206 -1.2728 -1.1088   -1.1088 -1.2728 0.9206
H7 -0.9206 -1.2728 -1.1088   -1.1088 -1.2728 -0.9206
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9127 1.9127 2.5598 2.5598 2.5598 2.5598
C2 1.9127 1.5019 1.0902 1.0902 2.2387 2.2387
C3 1.9127 1.5019 2.2387 2.2387 1.0902 1.0902
H4 2.5598 1.0902 2.2387 1.8412 3.1417 2.5457
H5 2.5598 1.0902 2.2387 1.8412 2.5457 3.1417
H6 2.5598 2.2387 1.0902 3.1417 2.5457 1.8412
H7 2.5598 2.2387 1.0902 2.5457 3.1417 1.8412
Maximum atom distance is 3.1417Å between atoms H4 and H6.
picture of Thiirane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C3 66.882 S1 C3 C2 66.882
C2 S1 C3 46.235
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 114.138 S1 C2 H5 114.138
S1 C3 H6 114.138 S1 C3 H7 114.138
C2 C3 H6 118.601 C2 C3 H7 118.601
C3 C2 H4 118.601 C3 C2 H5 118.601
H4 C2 H5 115.227 H6 C3 H7 115.227

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