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Geometry for C4H3ClO (Furan, 2-chloro) 1A' CS

1910171554
InChI=1S/C4H3ClO/c5-4-2-1-3-6-4/h1-3H INChIKey=YSMYHWBQQONPRD-UHFFFAOYSA-N

QCISD/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2689 0.0000   0.2443 -0.1125 0.0000
C2 1.3093 -0.0865 0.0000   0.4691 1.2255 0.0000
C3 1.3115 -1.5278 0.0000   -0.8392 1.8303 0.0000
C4 0.0104 -1.9132 0.0000   -1.7335 0.8097 0.0000
O5 -0.8205 -0.8175 0.0000   -1.0858 -0.4033 0.0000
Cl6 -0.7684 1.7973 0.0000   1.3111 -1.4497 0.0000
H7 2.1532 0.5804 0.0000   1.4279 1.7131 0.0000
H8 2.1714 -2.1757 0.0000   -1.0680 2.8823 0.0000
H9 -0.4852 -2.8670 0.0000   -2.8071 0.7585 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3567 2.2245 2.1822 1.3615 1.7107 2.1757 3.2697 3.1732
C2 1.3567 1.4413 2.2414 2.2518 2.8046 1.0756 2.2601 3.3093
C3 2.2245 1.4413 1.3570 2.2472 3.9220 2.2700 1.0766 2.2409
C4 2.1822 2.2414 1.3570 1.3751 3.7914 3.2879 2.1768 1.0748
O5 1.3615 2.2518 2.2472 1.3751 2.6153 3.2860 3.2857 2.0767
Cl6 1.7107 2.8046 3.9220 3.7914 2.6153 3.1649 4.9424 4.6729
H7 2.1757 1.0756 2.2700 3.2879 3.2860 3.1649 2.7562 4.3412
H8 3.2697 2.2601 1.0766 2.1768 3.2857 4.9424 2.7562 2.7450
H9 3.1732 3.3093 2.2409 1.0748 2.0767 4.6729 4.3412 2.7450
Maximum atom distance is 4.9424Å between atoms Cl6 and H8.
picture of Furan, 2-chloro
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 105.276 C1 O5 C4 105.764
C2 C1 O5 111.873 C2 C1 Cl6 131.879
C2 C3 C4 106.411 C3 C4 O5 110.675
O5 C1 Cl6 116.248
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.494 C2 C3 H8 127.087
C3 C2 H7 128.229 C3 C4 H9 133.958
C4 C3 H8 126.501 O5 C4 H9 115.367

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