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Geometry for C3H5Cl (1-chloro-1-propene(Z)) 1A' CS

1910171554
InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2- INChIKey=OWXJKYNZGFSVRC-IHWYPQMZSA-N

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.9143 0.0000   -0.1032 -0.9085 0.0000
C2 -1.2332 0.4312 0.0000   1.1767 -0.5675 0.0000
C3 -1.6504 -0.9967 0.0000   1.7523 0.8041 0.0000
Cl4 1.4362 -0.0670 0.0000   -1.4195 0.2286 0.0000
H5 0.2284 1.9693 0.0000   -0.4492 -1.9310 0.0000
H6 -2.0206 1.1795 0.0000   1.8747 -1.4000 0.0000
H7 -0.7949 -1.6694 0.0000   0.9782 1.5690 0.0000
H8 -2.2636 -1.2168 0.8777   2.3864 0.9537 0.8777
H9 -2.2636 -1.2168 -0.8777   2.3864 0.9537 -0.8777
Atom - Atom Distances (Å)
  C1 C2 C3 Cl4 H5 H6 H7 H8 H9
C1 1.3245 2.5250 1.7395 1.0795 2.0380 2.7032 3.2305 3.2305
C2 1.3245 1.4876 2.7155 2.1219 1.0864 2.1457 2.1326 2.1326
C3 2.5250 1.4876 3.2236 3.5110 2.2075 1.0883 1.0931 1.0931
Cl4 1.7395 2.7155 3.2236 2.3676 3.6747 2.7469 3.9726 3.9726
H5 1.0795 2.1219 3.5110 2.3676 2.3837 3.7799 4.1391 4.1391
H6 2.0380 1.0864 2.2075 3.6747 2.3837 3.1014 2.5636 2.5636
H7 2.7032 2.1457 1.0883 2.7469 3.7799 3.1014 1.7698 1.7698
H8 3.2305 2.1326 1.0931 3.9726 4.1391 2.5636 1.7698 1.7554
H9 3.2305 2.1326 1.0931 3.9726 4.1391 2.5636 1.7698 1.7554
Maximum atom distance is 4.1391Å between atoms H5 and H8.
picture of 1-chloro-1-propene(Z)
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 127.685 C2 C1 Cl4 124.262
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.062 C2 C1 H5 123.612
C2 C3 H7 111.888 C2 C3 H8 110.528
C2 C3 H9 110.528 C3 C2 H6 117.252
Cl4 C1 H5 112.125 H7 C3 H8 108.449
H7 C3 H9 108.449 H8 C3 H9 106.832

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