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Geometry for C3H5ClO2 (Carbonochloridic acid, ethyl ester) 1A C1

1910171554
InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3 INChIKey=RIFGWPKJUGCATF-UHFFFAOYSA-N

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Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.5645 0.6532 0.0000   0.5515 -0.6643 0.0000
H2 1.1864 -1.1162 -0.8902   1.2083 1.0925 -0.8902
H3 1.1864 -1.1162 0.8902   1.2083 1.0925 0.8902
C4 1.4107 -0.5247 0.0000   1.4208 0.4966 0.0000
H5 3.0411 0.5765 -0.8879   3.0291 -0.6366 -0.8879
H6 3.5218 -0.8824 -0.0000   3.5386 0.8124 0.0000
H7 3.0411 0.5765 0.8879   3.0291 -0.6366 0.8879
C8 2.8401 -0.0272 -0.0000   2.8401 -0.0290 -0.0000
O9 -1.4286 1.6166 -0.0000   -1.4604 -1.5880 -0.0000
Cl10 -1.5308 -0.9829 0.0000   -1.5110 1.0130 0.0000
C11 -0.7576 0.6372 -0.0000   -0.7701 -0.6221 -0.0000
Atom - Atom Distances (Å)
  O1 H2 H3 C4 H5 H6 H7 C8 O9 Cl10 C11
O1 2.0761 2.0761 1.4503 2.6321 3.3322 2.6321 2.3752 2.2138 2.6584 1.3222
H2 2.0761 1.7804 1.0921 2.5110 2.5102 3.0768 2.1709 3.8858 2.8624 2.7651
H3 2.0761 1.7804 1.0921 3.0768 2.5102 2.5110 2.1709 3.8858 2.8624 2.7651
C4 1.4503 1.0921 1.0921 2.1585 2.1412 2.1585 1.5135 3.5562 2.9769 2.4599
H5 2.6321 2.5110 3.0768 2.1585 1.7741 1.7758 1.0924 4.6743 4.9114 3.9016
H6 3.3322 2.5102 2.5102 2.1412 1.7741 1.7741 1.0936 5.5454 5.0536 4.5412
H7 2.6321 3.0768 2.5110 2.1585 1.7758 1.7741 1.0924 4.6743 4.9114 3.9016
C8 2.3752 2.1709 2.1709 1.5135 1.0924 1.0936 1.0924 4.5743 4.4741 3.6585
O9 2.2138 3.8858 3.8858 3.5562 4.6743 5.5454 4.6743 4.5743 2.6015 1.1873
Cl10 2.6584 2.8624 2.8624 2.9769 4.9114 5.0536 4.9114 4.4741 2.6015 1.7951
C11 1.3222 2.7651 2.7651 2.4599 3.9016 4.5412 3.9016 3.6585 1.1873 1.7951
Maximum atom distance is 5.5454Å between atoms H6 and O9.
picture of Carbonochloridic acid, ethyl ester
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C4 C8 106.506 O1 C11 O9 123.722
O1 C11 Cl10 116.209 C4 O1 C11 124.998
O9 C11 Cl10 120.070
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C4 H2 108.668 O1 C4 H3 108.668
H2 C4 H3 109.199 H2 C4 C8 111.838
H3 C4 C8 111.838 C4 C8 H5 110.821
C4 C8 H6 109.376 C4 C8 H7 110.821
H5 C8 H6 108.506 H5 C8 H7 108.748
H6 C8 H7 108.506

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