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Geometry for C4H9ClO (1-Chloro-2-ethoxyethane) 1A' CS

1910171554
InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3 INChIKey=GPTVQTPMFOLLOA-UHFFFAOYSA-N

MP2=FULL/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3612 -0.2604 0.0000   1.2170 0.6631 0.0000
Cl2 -2.6397 0.9815 0.0000   2.8133 -0.1297 0.0000
C3 0.0000 0.3997 0.0000   0.1219 -0.3807 0.0000
C4 3.2195 -1.3245 0.0000   -3.4701 0.2796 0.0000
C5 2.2753 -0.1431 0.0000   -2.2105 -0.5576 0.0000
O6 0.9485 -0.6430 0.0000   -1.0994 0.3231 0.0000
H7 4.2578 -0.9852 0.0000   -4.3555 -0.3602 0.0000
H8 -1.4854 -0.8748 0.8900   1.1478 1.2862 0.8900
H9 -1.4854 -0.8748 -0.8900   1.1478 1.2862 -0.8900
H10 0.1115 1.0353 -0.8895   0.2096 -1.0200 -0.8895
H11 0.1115 1.0353 0.8895   0.2096 -1.0200 0.8895
H12 3.0530 -1.9399 -0.8853   -3.4992 0.9164 -0.8853
H13 3.0530 -1.9399 0.8853   -3.4992 0.9164 0.8853
H14 2.4352 0.4860 0.8876   -2.1710 -1.2055 0.8876
H15 2.4352 0.4860 -0.8876   -2.1710 -1.2055 -0.8876
Atom - Atom Distances (Å)
  C1 Cl2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.7824 1.5129 4.7027 3.6384 2.3412 5.6656 1.0886 1.0886 2.1538 2.1538 4.8052 4.8052 3.9696 3.9696
Cl2 1.7824 2.7031 6.2967 5.0420 3.9388 7.1725 2.3602 2.3602 2.8919 2.8919 6.4595 6.4595 5.1757 5.1757
C3 1.5129 2.7031 3.6521 2.3391 1.4096 4.4774 2.1501 2.1501 1.0989 1.0989 3.9470 3.9470 2.5933 2.5933
C4 4.7027 6.2967 3.6521 1.5124 2.3711 1.0923 4.8094 4.8094 4.0025 4.0025 1.0909 1.0909 2.1635 2.1635
C5 3.6384 5.0420 2.3391 1.5124 1.4178 2.1540 3.9332 3.9332 2.6195 2.6195 2.1488 2.1488 1.0996 1.0996
O6 2.3412 3.9388 1.4096 2.3711 1.4178 3.3270 2.6018 2.6018 2.0757 2.0757 2.6258 2.6258 2.0670 2.0670
H7 5.6656 7.1725 4.4774 1.0923 2.1540 3.3270 5.8128 5.8128 4.6974 4.6974 1.7739 1.7739 2.5049 2.5049
H8 1.0886 2.3602 2.1501 4.8094 3.9332 2.6018 5.8128 1.7800 3.0603 2.4897 4.9883 4.6617 4.1500 4.5147
H9 1.0886 2.3602 2.1501 4.8094 3.9332 2.6018 5.8128 1.7800 2.4897 3.0603 4.6617 4.9883 4.5147 4.1500
H10 2.1538 2.8919 1.0989 4.0025 2.6195 2.0757 4.6974 3.0603 2.4897 1.7790 4.1839 4.5447 2.9765 2.3877
H11 2.1538 2.8919 1.0989 4.0025 2.6195 2.0757 4.6974 2.4897 3.0603 1.7790 4.5447 4.1839 2.3877 2.9765
H12 4.8052 6.4595 3.9470 1.0909 2.1488 2.6258 1.7739 4.9883 4.6617 4.1839 4.5447 1.7705 3.0675 2.5033
H13 4.8052 6.4595 3.9470 1.0909 2.1488 2.6258 1.7739 4.6617 4.9883 4.5447 4.1839 1.7705 2.5033 3.0675
H14 3.9696 5.1757 2.5933 2.1635 1.0996 2.0670 2.5049 4.1500 4.5147 2.9765 2.3877 3.0675 2.5033 1.7752
H15 3.9696 5.1757 2.5933 2.1635 1.0996 2.0670 2.5049 4.5147 4.1500 2.3877 2.9765 2.5033 3.0675 1.7752
Maximum atom distance is 7.1725Å between atoms Cl2 and H7.
picture of 1-Chloro-2-ethoxyethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 O6 106.420 Cl2 C1 C3 109.961
C3 O6 C5 111.645 C4 C5 O6 107.987
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H10 110.100 C1 C3 H11 110.100
Cl2 C1 H8 108.149 Cl2 C1 H9 108.149
C3 C1 H8 110.420 C3 C1 H9 110.420
C4 C5 H14 110.859 C4 C5 H15 110.859
C5 C4 H7 110.539 C5 C4 H12 110.205
C5 C4 H13 110.205 O6 C3 H10 111.075
O6 C3 H11 111.075 O6 C5 H14 109.743
O6 C5 H15 109.743 H7 C4 H12 108.680
H7 C4 H13 108.680 H8 C1 H9 109.683
H10 C3 H11 108.080 H12 C4 H13 108.479
H14 C5 H15 107.649

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