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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

mPW1PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3509 -0.2773 0.0000   1.1956 0.6873 0.0000
Cl2 -2.6685 0.9345 0.0000   2.8270 -0.0497 0.0000
C3 0.0000 0.4091 0.0000   0.1284 -0.3884 0.0000
C4 3.2384 -1.2880 0.0000   -3.4790 0.2064 0.0000
C5 2.2875 -0.1125 0.0000   -2.2072 -0.6112 0.0000
O6 0.9657 -0.6088 0.0000   -1.1080 0.2749 0.0000
H7 4.2743 -0.9412 0.0000   -4.3537 -0.4481 0.0000
H8 -1.4697 -0.8971 0.8880   1.1138 1.3130 0.8880
H9 -1.4697 -0.8971 -0.8880   1.1138 1.3130 -0.8880
H10 0.0943 1.0528 -0.8875   0.2409 -1.0291 -0.8875
H11 0.0943 1.0528 0.8875   0.2409 -1.0291 0.8875
H12 3.0800 -1.9076 -0.8851   -3.5232 0.8444 -0.8851
H13 3.0800 -1.9076 0.8851   -3.5232 0.8444 0.8851
H14 2.4531 0.5209 0.8855   -2.1656 -1.2646 0.8855
H15 2.4531 0.5209 -0.8855   -2.1656 -1.2646 -0.8855
Atom - Atom Distances (Å)
  C1 Cl2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.7901 1.5153 4.6993 3.6421 2.3402 5.6643 1.0894 1.0894 2.1553 2.1553 4.8036 4.8036 3.9865 3.9865
Cl2 1.7901 2.7198 6.3112 5.0654 3.9483 7.1917 2.3623 2.3623 2.9042 2.9042 6.4736 6.4736 5.2140 5.2140
C3 1.5153 2.7198 3.6561 2.3462 1.4030 4.4825 2.1574 2.1574 1.1004 1.1004 3.9544 3.9544 2.6104 2.6104
C4 4.6993 6.3112 3.6561 1.5120 2.3721 1.0925 4.8070 4.8070 4.0190 4.0190 1.0919 1.0919 2.1617 2.1617
C5 3.6421 5.0654 2.3462 1.5120 1.4119 2.1527 3.9396 3.9396 2.6374 2.6374 2.1526 2.1526 1.1013 1.1013
O6 2.3402 3.9483 1.4030 2.3721 1.4119 3.3253 2.6082 2.6082 2.0755 2.0755 2.6346 2.6346 2.0671 2.0671
H7 5.6643 7.1917 4.4825 1.0925 2.1527 3.3253 5.8124 5.8124 4.7155 4.7155 1.7730 1.7730 2.4977 2.4977
H8 1.0894 2.3623 2.1574 4.8070 3.9396 2.6082 5.8124 1.7761 3.0660 2.4995 4.9865 4.6606 4.1712 4.5326
H9 1.0894 2.3623 2.1574 4.8070 3.9396 2.6082 5.8124 1.7761 2.4995 3.0660 4.6606 4.9865 4.5326 4.1712
H10 2.1553 2.9042 1.1004 4.0190 2.6374 2.0755 4.7155 3.0660 2.4995 1.7749 4.2046 4.5630 2.9984 2.4181
H11 2.1553 2.9042 1.1004 4.0190 2.6374 2.0755 4.7155 2.4995 3.0660 1.7749 4.5630 4.2046 2.4181 2.9984
H12 4.8036 6.4736 3.9544 1.0919 2.1526 2.6346 1.7730 4.9865 4.6606 4.2046 4.5630 1.7701 3.0701 2.5082
H13 4.8036 6.4736 3.9544 1.0919 2.1526 2.6346 1.7730 4.6606 4.9865 4.5630 4.2046 1.7701 2.5082 3.0701
H14 3.9865 5.2140 2.6104 2.1617 1.1013 2.0671 2.4977 4.1712 4.5326 2.9984 2.4181 3.0701 2.5082 1.7709
H15 3.9865 5.2140 2.6104 2.1617 1.1013 2.0671 2.4977 4.5326 4.1712 2.4181 2.9984 2.5082 3.0701 1.7709
Maximum atom distance is 7.1917Å 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 106.559 Cl2 C1 C3 110.462
C3 O6 C5 112.914 C4 C5 O6 108.392
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H10 109.959 C1 C3 H11 109.959
Cl2 C1 H8 107.750 Cl2 C1 H9 107.750
C3 C1 H8 110.786 C3 C1 H9 110.786
C4 C5 H14 110.649 C4 C5 H15 110.649
C5 C4 H7 110.459 C5 C4 H12 110.485
C5 C4 H13 110.485 O6 C3 H10 111.434
O6 C3 H11 111.434 O6 C5 H14 110.059
O6 C5 H15 110.059 H7 C4 H12 108.522
H7 C4 H13 108.522 H8 C1 H9 109.206
H10 C3 H11 107.512 H12 C4 H13 108.299
H14 C5 H15 107.037

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