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Geometry for C3H4 (cyclopropene) 1A1 C2v

1910171554
InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2 INChIKey=OOXWYYGXTJLWHA-UHFFFAOYSA-N

QCISD/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8691   0.8691 0.0000 0.0000
C2 0.0000 0.6569 -0.5044   -0.5044 0.6569 0.0000
C3 0.0000 -0.6569 -0.5044   -0.5044 -0.6569 0.0000
H4 0.0000 1.5986 -1.0518   -1.0518 1.5986 0.0000
H5 0.0000 -1.5986 -1.0518   -1.0518 -1.5986 0.0000
H6 0.9236 0.0000 1.4707   1.4707 0.0000 0.9236
H7 -0.9236 0.0000 1.4707   1.4707 0.0000 -0.9236
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.5225 1.5225 2.4990 2.4990 1.1023 1.1023
C2 1.5225 1.3138 1.0892 2.3210 2.2772 2.2772
C3 1.5225 1.3138 2.3210 1.0892 2.2772 2.2772
H4 2.4990 1.0892 2.3210 3.1971 3.1259 3.1259
H5 2.4990 2.3210 1.0892 3.1971 3.1259 3.1259
H6 1.1023 2.2772 2.2772 3.1259 3.1259 1.8473
H7 1.1023 2.2772 2.2772 3.1259 3.1259 1.8473
Maximum atom distance is 3.1971Å between atoms H4 and H5.
picture of cyclopropene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 64.439 C1 C3 C2 64.439
C2 C1 C3 51.123
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.733 C1 C3 H5 145.733
C2 C1 H6 119.497 C2 C1 H7 119.497
C2 C3 H5 149.829 C3 C1 H6 119.497
C3 C1 H7 119.497 C3 C2 H4 149.829
H6 C1 H7 113.842

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