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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

B1B95/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3606 -0.2596 0.0000   1.2211 0.6541 0.0000
Cl2 -2.6500 0.9858 0.0000   2.8234 -0.1495 0.0000
C3 0.0000 0.4021 0.0000   0.1201 -0.3837 0.0000
C4 3.2235 -1.3376 0.0000   -3.4758 0.3140 0.0000
C5 2.2867 -0.1527 0.0000   -2.2280 -0.5371 0.0000
O6 0.9546 -0.6310 0.0000   -1.0994 0.3172 0.0000
H7 4.2625 -0.9996 0.0000   -4.3665 -0.3188 0.0000
H8 -1.4959 -0.8728 0.8894   1.1671 1.2797 0.8894
H9 -1.4959 -0.8728 -0.8894   1.1671 1.2797 -0.8894
H10 0.1089 1.0397 -0.8889   0.2066 -1.0248 -0.8889
H11 0.1089 1.0397 0.8889   0.2066 -1.0248 0.8889
H12 3.0600 -1.9549 -0.8855   -3.5041 0.9520 -0.8855
H13 3.0600 -1.9549 0.8855   -3.5041 0.9520 0.8855
H14 2.4535 0.4765 0.8872   -2.1993 -1.1874 0.8872
H15 2.4535 0.4765 -0.8872   -2.1993 -1.1874 -0.8872
Atom - Atom Distances (Å)
  C1 Cl2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.7926 1.5130 4.7092 3.6490 2.3448 5.6716 1.0887 1.0887 2.1536 2.1536 4.8167 4.8167 3.9846 3.9846
Cl2 1.7926 2.7135 6.3163 5.0663 3.9505 7.1919 2.3616 2.3616 2.8990 2.8990 6.4835 6.4835 5.2050 5.2050
C3 1.5130 2.7135 3.6630 2.3531 1.4066 4.4870 2.1574 2.1574 1.0994 1.0994 3.9627 3.9627 2.6101 2.6101
C4 4.7092 6.3163 3.6630 1.5104 2.3764 1.0926 4.8249 4.8249 4.0178 4.0178 1.0917 1.0917 2.1612 2.1612
C5 3.6490 5.0663 2.3531 1.5104 1.4154 2.1496 3.9520 3.9520 2.6373 2.6373 2.1517 2.1517 1.1004 1.1004
O6 2.3448 3.9505 1.4066 2.3764 1.4154 3.3284 2.6181 2.6181 2.0729 2.0729 2.6400 2.6400 2.0641 2.0641
H7 5.6716 7.1919 4.4870 1.0926 2.1496 3.3284 5.8281 5.8281 4.7119 4.7119 1.7727 1.7727 2.4977 2.4977
H8 1.0887 2.3616 2.1574 4.8249 3.9520 2.6181 5.8281 1.7788 3.0653 2.4967 5.0078 4.6827 4.1736 4.5360
H9 1.0887 2.3616 2.1574 4.8249 3.9520 2.6181 5.8281 1.7788 2.4967 3.0653 4.6827 5.0078 4.5360 4.1736
H10 2.1536 2.8990 1.0994 4.0178 2.6373 2.0729 4.7119 3.0653 2.4967 1.7779 4.2044 4.5635 2.9949 2.4114
H11 2.1536 2.8990 1.0994 4.0178 2.6373 2.0729 4.7119 2.4967 3.0653 1.7779 4.5635 4.2044 2.4114 2.9949
H12 4.8167 6.4835 3.9627 1.0917 2.1517 2.6400 1.7727 5.0078 4.6827 4.2044 4.5635 1.7710 3.0695 2.5059
H13 4.8167 6.4835 3.9627 1.0917 2.1517 2.6400 1.7727 4.6827 5.0078 4.5635 4.2044 1.7710 2.5059 3.0695
H14 3.9846 5.2050 2.6101 2.1612 1.1004 2.0641 2.4977 4.1736 4.5360 2.9949 2.4114 3.0695 2.5059 1.7744
H15 3.9846 5.2050 2.6101 2.1612 1.1004 2.0641 2.4977 4.5360 4.1736 2.4114 2.9949 2.5059 3.0695 1.7744
Maximum atom distance is 7.1919Å 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 106.804 Cl2 C1 C3 110.060
C3 O6 C5 112.987 C4 C5 O6 108.580
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H10 110.042 C1 C3 H11 110.042
Cl2 C1 H8 107.574 Cl2 C1 H9 107.574
C3 C1 H8 110.981 C3 C1 H9 110.981
C4 C5 H14 110.765 C4 C5 H15 110.765
C5 C4 H7 110.313 C5 C4 H12 110.530
C5 C4 H13 110.530 O6 C3 H10 111.027
O6 C3 H11 111.027 O6 C5 H14 109.626
O6 C5 H15 109.626 H7 C4 H12 108.501
H7 C4 H13 108.501 H8 C1 H9 109.551
H10 C3 H11 107.912 H12 C4 H13 108.401
H14 C5 H15 107.467

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