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Geometry for CH2ClCHCHCH3 (2-Butene, 1-chloro-) 1A C1

1910171554
InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3 INChIKey=YTKRILODNOEEPX-UHFFFAOYSA-N

HF/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7865 0.8235 0.1292   0.8065 0.8122 0.0576
C2 0.5217 0.1477 0.4545   -0.5157 0.1976 0.4422
C3 1.6132 0.2572 -0.3230   -1.6082 0.2682 -0.3382
C4 2.9527 -0.3841 -0.0172   -2.9610 -0.3128 0.0243
Cl5 -2.1148 -0.3935 -0.1119   2.1042 -0.4525 -0.0853
H6 -1.1252 1.4583 0.9410   1.1645 1.5041 0.8125
H7 -0.7264 1.4010 -0.7856   0.7555 1.3126 -0.9021
H8 0.5518 -0.4385 1.3640   -0.5551 -0.3098 1.3976
H9 1.5511 0.8385 -1.2366   -1.5371 0.7697 -1.2974
H10 2.9178 -0.9508 0.9128   -2.9349 -0.8006 0.9981
H11 3.2439 -1.0604 -0.8242   -3.2724 -1.0468 -0.7226
H12 3.7321 0.3766 0.0692   -3.7217 0.4711 0.0493
Atom - Atom Distances (Å)
  C1 C2 C3 C4 Cl5 H6 H7 H8 H9 H10 H11 H12
C1 1.5080 2.5067 3.9320 1.8177 1.0848 1.0835 2.2155 2.7074 4.1814 4.5499 4.5411
C2 1.5080 1.3445 2.5327 2.7504 2.1603 2.1602 1.0825 2.0968 2.6754 3.2411 3.2415
C3 2.5067 1.3445 1.5162 3.7902 3.2464 2.6450 2.1110 1.0847 2.1653 2.1556 2.1583
C4 3.9320 2.5327 1.5162 5.0683 4.5762 4.1608 2.7703 2.2240 1.0896 1.0925 1.0926
Cl5 1.8177 2.7504 3.7902 5.0683 2.3489 2.3668 3.0481 4.0276 5.1660 5.4468 5.9002
H6 1.0848 2.1603 3.2464 4.5762 2.3489 1.7730 2.5670 3.5056 4.7065 5.3431 5.0522
H7 1.0835 2.1602 2.6450 4.1608 2.3668 1.7730 3.1046 2.3889 4.6579 4.6715 4.6539
H8 2.2155 1.0825 2.1110 2.7703 3.0481 2.5670 3.1046 3.0647 2.4625 3.5245 3.5292
H9 2.7074 2.0968 1.0847 2.2240 4.0276 3.5056 2.3889 3.0647 3.1127 2.5771 2.5836
H10 4.1814 2.6754 2.1653 1.0896 5.1660 4.7065 4.6579 2.4625 3.1127 1.7707 1.7711
H11 4.5499 3.2411 2.1556 1.0925 5.4468 5.3431 4.6715 3.5245 2.5771 1.7707 1.7612
H12 4.5411 3.2415 2.1583 1.0926 5.9002 5.0522 4.6539 3.5292 2.5836 1.7711 1.7612
Maximum atom distance is 5.9002Å between atoms Cl5 and H12.
picture of 2-Butene, 1-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 122.890 C2 C1 Cl5 111.253
C2 C3 C4 124.478
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 116.618 C2 C1 H6 111.827
C2 C1 H7 111.893 C2 C3 H9 118.965
C3 C2 H8 120.491 C3 C4 H10 111.338
C3 C4 H11 110.384 C3 C4 H12 110.594
C4 C3 H9 116.556 Cl5 C1 H6 105.241
Cl5 C1 H7 106.579 H6 C1 H7 109.713
H10 C4 H11 108.483 H10 C4 H12 108.510
H11 C4 H12 107.413

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