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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

QCISD/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7230 -0.2454 -0.2982   -1.7248 -0.1529 0.3460
C2 0.5427 0.5211 0.3126   -0.5400 0.4197 -0.4427
C3 -0.7183 -0.3022 0.3417   0.7185 -0.3842 -0.2456
C4 -1.8593 0.0214 -0.2795   1.8584 0.0913 0.2711
H5 -0.6666 -1.2352 0.9098   0.6656 -1.4350 -0.5438
H6 1.5059 -0.5275 -1.3357   -1.5119 -0.1479 1.4220
H7 2.6356 0.3637 -0.2915   -2.6353 0.4342 0.1730
H8 1.9275 -1.1654 0.2648   -1.9303 -1.1895 0.0486
H9 0.8019 0.8260 1.3381   -0.7948 0.4400 -1.5135
H10 0.3621 1.4450 -0.2546   -0.3583 1.4613 -0.1424
H11 -1.9548 0.9396 -0.8588   1.9549 1.1307 0.5842
H12 -2.7403 -0.6155 -0.2319   2.7375 -0.5372 0.3991
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5342 2.5245 3.5923 2.8547 1.0969 1.0972 1.0978 2.1619 2.1706 3.9045 4.4792
C2 1.5342 1.5062 2.5238 2.2144 2.1781 2.1840 2.1827 1.1008 1.0991 2.7901 3.5166
C3 2.5245 1.5062 1.3388 1.0936 2.7949 3.4775 2.7841 2.1393 2.1391 2.1242 2.1250
C4 3.5923 2.5238 1.3388 2.1015 3.5694 4.5079 4.0056 3.2165 2.6385 1.0898 1.0882
H5 2.8547 2.2144 1.0936 2.1015 3.2036 3.8606 2.6740 2.5668 3.0980 3.0850 2.4470
H6 1.0969 2.1781 2.7949 3.5694 3.2036 1.7779 1.7738 3.0784 2.5234 3.7889 4.3882
H7 1.0972 2.1840 3.4775 4.5079 3.8606 1.7779 1.7746 2.4964 2.5178 4.6610 5.4647
H8 1.0978 2.1827 2.7841 4.0056 2.6740 1.7738 1.7746 2.5268 3.0878 4.5569 4.7263
H9 2.1619 1.1008 2.1393 3.2165 2.5668 3.0784 2.4964 2.5268 1.7644 3.5268 4.1340
H10 2.1706 1.0991 2.1391 2.6385 3.0980 2.5234 2.5178 3.0878 1.7644 2.4471 3.7244
H11 3.9045 2.7901 2.1242 1.0898 3.0850 3.7889 4.6610 4.5569 3.5268 2.4471 1.8516
H12 4.4792 3.5166 2.1250 1.0882 2.4470 4.3882 5.4647 4.7263 4.1340 3.7244 1.8516
Maximum atom distance is 5.4647Å 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 112.255 C2 C3 C4 124.914
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.153 C1 C2 H10 109.933
C2 C1 H6 110.653 C2 C1 H7 111.109
C2 C1 H8 110.964 C2 C3 H5 115.897
C3 C2 H9 109.303 C3 C2 H10 109.384
C3 C4 H11 121.669 C3 C4 H12 121.881
C4 C3 H5 119.184 H6 C1 H7 108.252
H6 C1 H8 107.842 H7 C1 H8 107.894
H9 C2 H10 106.652 H11 C4 H12 116.450

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