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Geometry for CH2CHCH2CH3 (1-Butene) 1A C1

1910171554
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3 INChIKey=VXNZUUAINFGPBY-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7195 -0.2482 -0.2874   -1.7211 -0.1637 0.3344
C2 0.5370 0.5220 0.3007   -0.5345 0.4301 -0.4250
C3 -0.7231 -0.2930 0.3337   0.7232 -0.3695 -0.2460
C4 -1.8463 0.0165 -0.2757   1.8455 0.0818 0.2694
H5 -0.6770 -1.2065 0.9047   0.6761 -1.3976 -0.5675
H6 1.5243 -0.5308 -1.3150   -1.5300 -0.1776 1.4008
H7 2.6201 0.3541 -0.2673   -2.6198 0.4158 0.1592
H8 1.9140 -1.1546 0.2753   -1.9166 -1.1826 0.0186
H9 0.7844 0.8264 1.3138   -0.7779 0.4688 -1.4831
H10 0.3674 1.4293 -0.2673   -0.3639 1.4512 -0.1044
H11 -1.9443 0.9150 -0.8582   1.9444 1.0982 0.6061
H12 -2.7116 -0.6162 -0.2140   2.7090 -0.5479 0.3731
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5289 2.5207 3.5757 2.8430 1.0834 1.0836 1.0845 2.1432 2.1547 3.8862 4.4470
C2 1.5289 1.5010 2.5036 2.1968 2.1665 2.1657 2.1697 1.0864 1.0838 2.7666 3.4805
C3 2.5207 1.5010 1.3149 1.0782 2.7974 3.4579 2.7748 2.1181 2.1253 2.0908 2.0877
C4 3.5757 2.5036 1.3149 2.0631 3.5695 4.4792 3.9768 3.1786 2.6261 1.0753 1.0737
H5 2.8430 2.1968 1.0782 2.0631 3.1983 3.8314 2.6668 2.5369 3.0679 3.0356 2.3957
H6 1.0834 2.1665 2.7974 3.5695 3.1983 1.7554 1.7522 3.0496 2.5056 3.7855 4.3775
H7 1.0836 2.1657 3.4579 4.4792 3.8314 1.7554 1.7519 2.4684 2.4961 4.6365 5.4195
H8 1.0845 2.1697 2.7748 3.9768 2.6668 1.7522 1.7519 2.5057 3.0599 4.5226 4.6824
H9 2.1432 1.0864 2.1181 3.1786 2.5369 3.0496 2.4684 2.5057 1.7428 3.4887 4.0789
H10 2.1547 1.0838 2.1253 2.6261 3.0679 2.5056 2.4961 3.0599 1.7428 2.4408 3.6969
H11 3.8862 2.7666 2.0908 1.0753 3.0356 3.7855 4.6365 4.5226 3.4887 2.4408 1.8299
H12 4.4470 3.4805 2.0877 1.0737 2.3957 4.3775 5.4195 4.6824 4.0789 3.6969 1.8299
Maximum atom distance is 5.4195Å between atoms H7 and H12.
picture of 1-Butene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.596 C2 C3 C4 125.389
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 108.889 C1 C2 H10 109.945
C2 C1 H6 110.910 C2 C1 H7 110.836
C2 C1 H8 111.105 C2 C3 H5 115.832
C3 C2 H9 108.834 C3 C2 H10 109.555
C3 C4 H11 121.709 C3 C4 H12 121.538
C4 C3 H5 118.777 H6 C1 H7 108.199
H6 C1 H8 107.846 H7 C1 H8 107.813
H9 C2 H10 106.847 H11 C4 H12 116.753

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