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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

MP2/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7150 -0.2961 -0.2883   -1.7170 -0.1972 0.3539
C2 0.5501 0.5695 0.2733   -0.5473 0.4684 -0.4274
C3 -0.7268 -0.2445 0.4020   0.7274 -0.3511 -0.3120
C4 -1.8481 -0.0193 -0.3009   1.8470 0.0638 0.3015
H5 -0.6864 -1.0784 1.1034   0.6866 -1.3511 -0.7449
H6 1.4517 -0.6727 -1.2817   -1.4583 -0.2736 1.4147
H7 2.6352 0.2930 -0.3661   -2.6354 0.3914 0.2556
H8 1.9038 -1.1526 0.3681   -1.9063 -1.2056 -0.0300
H9 0.8356 0.9695 1.2550   -0.8281 0.5706 -1.4839
H10 0.3690 1.4219 -0.3941   -0.3657 1.4760 -0.0318
H11 -1.9185 0.8019 -1.0105   1.9177 1.0539 0.7461
H12 -2.7318 -0.6404 -0.1910   2.7291 -0.5647 0.3781
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5562 2.5381 3.5738 2.8837 1.0945 1.0953 1.0955 2.1810 2.1850 3.8639 4.4612
C2 1.5562 1.5198 2.5352 2.2212 2.1849 2.1984 2.1925 1.0979 1.0976 2.7921 3.5285
C3 2.5381 1.5198 1.3424 1.0904 2.7864 3.4903 2.7832 2.1546 2.1474 2.1237 2.1280
C4 3.5738 2.5352 1.3424 2.1079 3.5039 4.4946 3.9760 3.2558 2.6459 1.0876 1.0858
H5 2.8837 2.2212 1.0904 2.1079 3.2287 3.8824 2.6936 2.5560 3.0996 3.0858 2.4599
H6 1.0945 2.1849 2.7864 3.5039 3.2287 1.7809 1.7766 3.0840 2.5193 3.6886 4.3235
H7 1.0953 2.1984 3.4903 4.4946 3.8824 1.7809 1.7787 2.5148 2.5319 4.6271 5.4504
H8 1.0955 2.1925 2.7832 3.9760 2.6936 1.7766 1.7787 2.5360 3.0926 4.5089 4.6973
H9 2.1810 1.0979 2.1546 3.2558 2.5560 3.0840 2.5148 2.5360 1.7725 3.5701 4.1724
H10 2.1850 1.0976 2.1474 2.6459 3.0996 2.5193 2.5319 3.0926 1.7725 2.4489 3.7296
H11 3.8639 2.7921 2.1237 1.0876 3.0858 3.6886 4.6271 4.5089 3.5701 2.4489 1.8475
H12 4.4612 3.5285 2.1280 1.0858 2.4599 4.3235 5.4504 4.6973 4.1724 3.7296 1.8475
Maximum atom distance is 5.4504Å 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 111.200 C2 C3 C4 124.580
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.311 C1 C2 H10 109.635
C2 C1 H6 109.804 C2 C1 H7 110.817
C2 C1 H8 110.347 C2 C3 H5 115.655
C3 C2 H9 109.747 C3 C2 H10 109.199
C3 C4 H11 121.495 C3 C4 H12 122.064
C4 C3 H5 119.743 H6 C1 H7 108.824
H6 C1 H8 108.436 H7 C1 H8 108.557
H9 C2 H10 107.679 H11 C4 H12 116.441

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