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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

B3LYP/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.7446 -0.2436 -0.3036   1.7452 -0.3182 -0.2195
C2 0.5458 0.5251 0.3187   0.5457 0.5909 0.1681
C3 -0.7233 -0.3122 0.3447   -0.7253 -0.2072 0.4129
C4 -1.8839 0.0261 -0.2841   -1.8827 -0.0492 -0.2886
H5 -0.6755 -1.2569 0.9036   -0.6817 -0.9668 1.2055
H6 1.5396 -0.5060 -1.3567   1.5437 -0.8539 -1.1640
H7 2.6656 0.3656 -0.2716   2.6674 0.2761 -0.3485
H8 1.9405 -1.1824 0.2454   1.9369 -1.0750 0.5626
H9 0.8128 0.8111 1.3550   0.8094 1.1448 1.0904
H10 0.3638 1.4613 -0.2362   0.3679 1.3435 -0.6190
H11 -1.9774 0.9559 -0.8574   -1.9720 0.6922 -1.0913
H12 -2.7687 -0.6209 -0.2365   -2.7691 -0.6586 -0.0726
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5541 2.5526 3.6386 2.8881 1.1045 1.1046 1.1051 2.1753 2.1949 3.9495 4.5295
C2 1.5541 1.5207 2.5526 2.2381 2.2040 2.2062 2.2059 1.1077 1.1034 2.8170 3.5507
C3 2.5526 1.5207 1.3626 1.0987 2.8378 3.5105 2.8041 2.1546 2.1598 2.1508 2.1486
C4 3.6386 2.5526 1.3626 2.1253 3.6268 4.5621 4.0456 3.2519 2.6673 1.0964 1.0971
H5 2.8881 2.2381 1.0987 2.1253 3.2526 3.8956 2.6985 2.5875 3.1254 3.1133 2.4669
H6 1.1045 2.2040 2.8378 3.6268 3.2526 1.7902 1.7846 3.1010 2.5511 3.8413 4.4530
H7 1.1046 2.2062 3.5105 4.5621 3.8956 1.7902 1.7859 2.5054 2.5495 4.7168 5.5232
H8 1.1051 2.2059 2.8041 4.0456 2.6985 1.7846 1.7859 2.5450 3.1156 4.5976 4.7669
H9 2.1753 1.1077 2.1546 3.2519 2.5875 3.1010 2.5054 2.5450 1.7766 3.5638 4.1726
H10 2.1949 1.1034 2.1598 2.6673 3.1254 2.5511 2.5495 3.1156 1.7766 2.4744 3.7614
H11 3.9495 2.8170 2.1508 1.0964 3.1133 3.8413 4.7168 4.5976 3.5638 2.4744 1.8703
H12 4.5295 3.5507 2.1486 1.0971 2.4669 4.4530 5.5232 4.7669 4.1726 3.7614 1.8703
Maximum atom distance is 5.5232Å 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 112.226 C2 C3 C4 124.488
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 108.445 C1 C2 H10 110.211
C2 C1 H6 110.861 C2 C1 H7 111.023
C2 C1 H8 110.976 C2 C3 H5 116.473
C3 C2 H9 109.106 C3 C2 H10 109.762
C3 C4 H11 121.635 C3 C4 H12 121.362
C4 C3 H5 119.035 H6 C1 H7 108.264
H6 C1 H8 107.744 H7 C1 H8 107.838
H9 C2 H10 106.932 H11 C4 H12 117.003

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