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Geometry for C2H3CCH (1-Buten-3-yne) 1A' C1

1910171554
InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2 INChIKey=WFYPICNXBKQZGB-UHFFFAOYSA-N

CCD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5989 -0.5670 0.0000   -0.4705 0.6773 0.0000
C2 0.0000 0.7508 0.0000   0.7423 -0.1129 0.0000
C3 -0.1188 -1.7098 0.0000   -1.7082 0.1395 0.0000
C4 -0.4731 1.8789 0.0000   1.7864 -0.7502 0.0000
H5 1.6956 -0.6029 0.0000   -0.3412 1.7670 0.0000
H6 0.3821 -2.6837 0.0000   -2.5958 0.7812 0.0000
H7 -1.2142 -1.6966 0.0000   -1.8598 -0.9453 0.0000
H8 -0.9052 2.8656 0.0000   2.6970 -1.3257 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8
C1 1.4475 1.3495 2.6705 1.0973 2.1278 2.1362 3.7477
C2 1.4475 2.4635 1.2233 2.1697 3.4558 2.7320 2.3004
C3 1.3495 2.4635 3.6061 2.1254 1.0952 1.0954 4.6425
C4 2.6705 1.2233 3.6061 3.2959 4.6421 3.6514 1.0772
H5 1.0973 2.1697 2.1254 3.2959 2.4607 3.1085 4.3353
H6 2.1278 3.4558 1.0952 4.6421 2.4607 1.8769 5.6967
H7 2.1362 2.7320 1.0954 3.6514 3.1085 1.8769 4.5726
H8 3.7477 2.3004 4.6425 1.0772 4.3353 5.6967 4.5726
Maximum atom distance is 5.6967Å between atoms H6 and H8.
picture of 1-Buten-3-yne
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 178.314 C2 C1 C3 123.430
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H6 120.650 C1 C3 H7 121.437
C2 C1 H5 116.319 C2 C4 H8 179.106
C3 C1 H5 120.251 H6 C3 H7 117.913

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