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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

MP2=FULL/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7382 -0.2510 -0.3026   -1.7401 -0.1205 0.3653
C2 0.5470 0.5258 0.3161   -0.5443 0.3739 -0.4895
C3 -0.7263 -0.2991 0.3554   0.7269 -0.4095 -0.2175
C4 -1.8728 0.0183 -0.2881   1.8717 0.1205 0.2702
H5 -0.6792 -1.2219 0.9428   0.6795 -1.4833 -0.4257
H6 1.5085 -0.5408 -1.3372   -1.5154 -0.0108 1.4352
H7 2.6487 0.3641 -0.3088   -2.6489 0.4551 0.1411
H8 1.9469 -1.1667 0.2691   -1.9491 -1.1818 0.1684
H9 0.8136 0.8447 1.3376   -0.8058 0.2961 -1.5580
H10 0.3623 1.4439 -0.2651   -0.3593 1.4409 -0.2847
H11 -1.9596 0.9275 -0.8853   1.9586 1.1852 0.4928
H12 -2.7579 -0.6142 -0.2374   2.7552 -0.4876 0.4593
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5509 2.5514 3.6211 2.8875 1.0986 1.0988 1.0995 2.1785 2.1834 3.9245 4.5113
C2 1.5509 1.5177 2.5453 2.2251 2.1898 2.1986 2.1969 1.1028 1.1022 2.8085 3.5396
C3 2.5514 1.5177 1.3525 1.0948 2.8139 3.5031 2.8118 2.1551 2.1467 2.1365 2.1397
C4 3.6211 2.5453 1.3525 2.1161 3.5842 4.5348 4.0379 3.2470 2.6512 1.0912 1.0891
H5 2.8875 2.2251 1.0948 2.1161 3.2324 3.8932 2.7117 2.5797 3.1065 3.0985 2.4664
H6 1.0986 2.1898 2.8139 3.5842 3.2324 1.7822 1.7788 3.0914 2.5302 3.7931 4.4066
H7 1.0988 2.1986 3.5031 4.5348 3.8932 1.7822 1.7805 2.5118 2.5289 4.6782 5.4949
H8 1.0995 2.1969 2.8118 4.0379 2.7117 1.7788 1.7805 2.5440 3.1002 4.5802 4.7641
H9 2.1785 1.1028 2.1551 3.2470 2.5797 3.0914 2.5118 2.5440 1.7695 3.5551 4.1671
H10 2.1834 1.1022 2.1467 2.6512 3.1065 2.5302 2.5289 3.1002 1.7695 2.4582 3.7380
H11 3.9245 2.8085 2.1365 1.0912 3.0985 3.7931 4.6782 4.5802 3.5551 2.4582 1.8531
H12 4.5113 3.5396 2.1397 1.0891 2.4664 4.4066 5.4949 4.7641 4.1671 3.7380 1.8531
Maximum atom distance is 5.4949Å 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 112.489 C2 C3 C4 124.840
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.190 C1 C2 H10 109.609
C2 C1 H6 110.315 C2 C1 H7 110.993
C2 C1 H8 110.823 C2 C3 H5 115.844
C3 C2 H9 109.630 C3 C2 H10 109.016
C3 C4 H11 121.554 C3 C4 H12 122.035
C4 C3 H5 119.308 H6 C1 H7 108.395
H6 C1 H8 108.039 H7 C1 H8 108.178
H9 C2 H10 106.742 H11 C4 H12 116.411

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