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Geometry for CHOCHCHCH3 (2-Butenal) 1A' CS

1910171554
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 INChIKey=MLUCVPSAIODCQM-UHFFFAOYSA-N

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.3715 -0.4737 0.0000   -2.4101 -0.2001 0.0000
C2 0.8935 -0.6478 0.0000   -1.0378 0.3756 0.0000
C3 0.0000 0.3368 0.0000   0.0931 -0.3236 0.0000
C4 -1.4336 0.0447 0.0000   1.3901 0.3532 0.0000
O5 -2.2983 0.8862 0.0000   2.4537 -0.2166 0.0000
H6 -1.6952 -1.0316 0.0000   1.3441 1.4598 0.0000
H7 0.2922 1.3801 0.0000   0.1006 -1.4071 0.0000
H8 0.5245 -1.6704 0.0000   -0.9656 1.4604 0.0000
H9 2.6528 0.5780 0.0000   -2.3897 -1.2886 0.0000
H10 2.8118 -0.9532 0.8763   -2.9657 0.1390 0.8763
H11 2.8118 -0.9532 -0.8763   -2.9657 0.1390 -0.8763
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 H6 H7 H8 H9 H10 H11
C1 1.4882 2.5062 3.8402 4.8638 4.1048 2.7857 2.2009 1.0887 1.0916 1.0916
C2 1.4882 1.3295 2.4280 3.5413 2.6170 2.1151 1.0872 2.1442 2.1309 2.1309
C3 2.5062 1.3295 1.4630 2.3631 2.1785 1.0835 2.0745 2.6637 3.2153 3.2153
C4 3.8402 2.4280 1.4630 1.2066 1.1076 2.1820 2.6030 4.1210 4.4482 4.4482
O5 4.8638 3.5413 2.3631 1.2066 2.0104 2.6371 3.8085 4.9607 5.5013 5.5013
H6 4.1048 2.6170 2.1785 1.1076 2.0104 3.1250 2.3097 4.6363 4.5920 4.5920
H7 2.7857 2.1151 1.0835 2.1820 2.6371 3.1250 3.0593 2.4931 3.5441 3.5441
H8 2.2009 1.0872 2.0745 2.6030 3.8085 2.3097 3.0593 3.0960 2.5523 2.5523
H9 1.0887 2.1442 2.6637 4.1210 4.9607 4.6363 2.4931 3.0960 1.7714 1.7714
H10 1.0916 2.1309 3.2153 4.4482 5.5013 4.5920 3.5441 2.5523 1.7714 1.7526
H11 1.0916 2.1309 3.2153 4.4482 5.5013 4.5920 3.5441 2.5523 1.7714 1.7526
Maximum atom distance is 5.5013Å between atoms O5 and H10.
picture of 2-Butenal
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 125.509 C2 C3 C4 120.713
C3 C4 O5 124.268
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 116.563 C2 C1 H9 111.690
C2 C1 H10 110.436 C2 C1 H11 110.436
C2 C3 H7 122.130 C3 C2 H8 117.928
C3 C4 H6 115.175 C4 C3 H7 117.157
O5 C4 H6 120.556 H9 C1 H10 108.672
H9 C1 H11 108.672 H10 C1 H11 106.786

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