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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

HSEh1PBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3856 -0.2181 0.0000   1.2363 0.6627 0.0000
Cl2 -2.6161 1.0538 0.0000   2.8172 -0.1325 0.0000
C3 0.0000 0.3950 0.0000   0.1302 -0.3729 0.0000
C4 3.2026 -1.4123 0.0000   -3.4891 0.2776 0.0000
C5 2.2801 -0.2099 0.0000   -2.2218 -0.5535 0.0000
O6 0.9349 -0.6640 0.0000   -1.1015 0.3187 0.0000
H7 4.2420 -1.0827 0.0000   -4.3618 -0.3762 0.0000
H8 -1.5276 -0.8359 0.8850   1.1667 1.2928 0.8850
H9 -1.5276 -0.8359 -0.8850   1.1667 1.2928 -0.8850
H10 0.1237 1.0268 -0.8875   0.2216 -1.0102 -0.8875
H11 0.1237 1.0268 0.8875   0.2216 -1.0102 0.8875
H12 3.0297 -2.0209 -0.8875   -3.5266 0.9092 -0.8875
H13 3.0297 -2.0209 0.8875   -3.5266 0.9092 0.8875
H14 2.4592 0.4062 0.8893   -2.1878 -1.1942 0.8893
H15 2.4592 0.4062 -0.8893   -2.1878 -1.1942 -0.8893
Atom - Atom Distances (Å)
  C1 Cl2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.7697 1.5152 4.7411 3.6657 2.3629 5.6936 1.0886 1.0886 2.1484 2.1484 4.8511 4.8511 3.9954 3.9954
Cl2 1.7697 2.6977 6.3197 5.0566 3.9446 7.1831 2.3535 2.3535 2.8801 2.8801 6.4897 6.4897 5.1931 5.1931
C3 1.5152 2.6977 3.6774 2.3590 1.4126 4.4920 2.1522 2.1522 1.0964 1.0964 3.9753 3.9753 2.6150 2.6150
C4 4.7411 6.3197 3.6774 1.5155 2.3880 1.0904 4.8467 4.8467 4.0269 4.0269 1.0899 1.0899 2.1565 2.1565
C5 3.6657 5.0566 2.3590 1.5155 1.4198 2.1473 3.9590 3.9590 2.6394 2.6394 2.1516 2.1516 1.0965 1.0965
O6 2.3629 3.9446 1.4126 2.3880 1.4198 3.3335 2.6223 2.6223 2.0746 2.0746 2.6490 2.6490 2.0639 2.0639
H7 5.6936 7.1831 4.4920 1.0904 2.1473 3.3335 5.8423 5.8423 4.7114 4.7114 1.7713 1.7713 2.4871 2.4871
H8 1.0886 2.3535 2.1522 4.8467 3.9590 2.6223 5.8423 1.7700 3.0558 2.4893 5.0314 4.7089 4.1758 4.5371
H9 1.0886 2.3535 2.1522 4.8467 3.9590 2.6223 5.8423 1.7700 2.4893 3.0558 4.7089 5.0314 4.5371 4.1758
H10 2.1484 2.8801 1.0964 4.0269 2.6394 2.0746 4.7114 3.0558 2.4893 1.7749 4.2110 4.5698 2.9993 2.4165
H11 2.1484 2.8801 1.0964 4.0269 2.6394 2.0746 4.7114 2.4893 3.0558 1.7749 4.5698 4.2110 2.4165 2.9993
H12 4.8511 6.4897 3.9753 1.0899 2.1516 2.6490 1.7713 5.0314 4.7089 4.2110 4.5698 1.7750 3.0615 2.4932
H13 4.8511 6.4897 3.9753 1.0899 2.1516 2.6490 1.7713 4.7089 5.0314 4.5698 4.2110 1.7750 2.4932 3.0615
H14 3.9954 5.1931 2.6150 2.1565 1.0965 2.0639 2.4871 4.1758 4.5371 2.9993 2.4165 3.0615 2.4932 1.7785
H15 3.9954 5.1931 2.6150 2.1565 1.0965 2.0639 2.4871 4.5371 4.1758 2.4165 2.9993 2.4932 3.0615 1.7785
Maximum atom distance is 7.1831Å 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 107.569 Cl2 C1 C3 110.181
C3 O6 C5 112.786 C4 C5 O6 108.843
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H10 109.657 C1 C3 H11 109.657
Cl2 C1 H8 108.492 Cl2 C1 H9 108.492
C3 C1 H8 110.422 C3 C1 H9 110.422
C4 C5 H14 110.265 C4 C5 H15 110.265
C5 C4 H7 109.897 C5 C4 H12 110.272
C5 C4 H13 110.272 O6 C3 H10 110.933
O6 C3 H11 110.933 O6 C5 H14 109.538
O6 C5 H15 109.538 H7 C4 H12 108.662
H7 C4 H13 108.662 H8 C1 H9 108.776
H10 C3 H11 108.086 H12 C4 H13 109.037
H14 C5 H15 108.379

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