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Geometry for C4H4Se (selenophene) 1A1 C2V

1910171554
InChI=1S/C4H4Se/c1-2-4-5-3-1/h1-4H INChIKey=MABNMNVCOAICNO-UHFFFAOYSA-N

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Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.9056   0.9056 0.0000 0.0000
C2 0.0000 1.2807 -0.4368   -0.4368 1.2807 0.0000
C3 0.0000 -1.2807 -0.4368   -0.4368 -1.2807 0.0000
C4 0.0000 0.7133 -1.6657   -1.6657 0.7133 0.0000
C5 0.0000 -0.7133 -1.6657   -1.6657 -0.7133 0.0000
H6 0.0000 2.3327 -0.2051   -0.2051 2.3327 0.0000
H7 0.0000 -2.3327 -0.2051   -0.2051 -2.3327 0.0000
H8 0.0000 1.2973 -2.5749   -2.5749 1.2973 0.0000
H9 0.0000 -1.2973 -2.5749   -2.5749 -1.2973 0.0000
Atom - Atom Distances (Å)
  Se1 C2 C3 C4 C5 H6 H7 H8 H9
Se1 1.8553 1.8553 2.6684 2.6684 2.5836 2.5836 3.7145 3.7145
C2 1.8553 2.5615 1.3536 2.3423 1.0771 3.6208 2.1382 3.3494
C3 1.8553 2.5615 2.3423 1.3536 3.6208 1.0771 3.3494 2.1382
C4 2.6684 1.3536 2.3423 1.4266 2.1808 3.3781 1.0807 2.2067
C5 2.6684 2.3423 1.3536 1.4266 3.3781 2.1808 2.2067 1.0807
H6 2.5836 1.0771 3.6208 2.1808 3.3781 4.6653 2.5861 4.3351
H7 2.5836 3.6208 1.0771 3.3781 2.1808 4.6653 4.3351 2.5861
H8 3.7145 2.1382 3.3494 1.0807 2.2067 2.5861 4.3351 2.5947
H9 3.7145 3.3494 2.1382 2.2067 1.0807 4.3351 2.5861 2.5947
Maximum atom distance is 4.6653Å between atoms H6 and H7.
picture of selenophene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 C4 111.561 Se1 C3 C5 111.561
C2 Se1 C3 87.309 C2 C4 C5 114.784
C3 C5 C4 114.784
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 C2 H6 121.237 Se1 C3 H7 121.237
C2 C4 H8 122.501 C3 C5 H9 122.501
C4 C2 H6 127.202 C4 C5 H9 122.715
C5 C3 H7 127.202 C5 C4 H8 122.715

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