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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

PBE1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2663 0.0000   0.2471 -0.0992 0.0000
C2 1.3078 -0.0999 0.0000   0.3945 1.2509 0.0000
C3 1.2942 -1.5301 0.0000   -0.9380 1.7710 0.0000
C4 -0.0113 -1.9002 0.0000   -1.7677 0.6974 0.0000
O5 -0.8177 -0.8045 0.0000   -1.0512 -0.4592 0.0000
Cl6 -0.7524 1.7940 0.0000   1.3846 -1.3665 0.0000
H7 2.1612 0.5618 0.0000   1.3264 1.7965 0.0000
H8 2.1507 -2.1897 0.0000   -1.2310 2.8116 0.0000
H9 -0.5233 -2.8499 0.0000   -2.8398 0.5759 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3581 2.2140 2.1665 1.3473 1.7029 2.1814 3.2646 3.1599
C2 1.3581 1.4303 2.2319 2.2393 2.7984 1.0799 2.2534 3.3039
C3 2.2140 1.4303 1.3569 2.2330 3.9036 2.2645 1.0811 2.2461
C4 2.1665 2.2319 1.3569 1.3605 3.7678 3.2835 2.1813 1.0790
O5 1.3473 2.2393 2.2330 1.3605 2.5993 3.2773 3.2757 2.0665
Cl6 1.7029 2.7984 3.9036 3.7678 2.5993 3.1635 4.9293 4.6496
H7 2.1814 1.0799 2.2645 3.2835 3.2773 3.1635 2.7514 4.3413
H8 3.2646 2.2534 1.0811 2.1813 3.2757 4.9293 2.7514 2.7543
H9 3.1599 3.3039 2.2461 1.0790 2.0665 4.6496 4.3413 2.7543
Maximum atom distance is 4.9293Å 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 105.094 C1 O5 C4 106.280
C2 C1 O5 111.725 C2 C1 Cl6 131.863
C2 C3 C4 106.375 C3 C4 O5 110.526
O5 C1 Cl6 116.412
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.574 C2 C3 H8 127.049
C3 C2 H7 128.332 C3 C4 H9 134.159
C4 C3 H8 126.577 O5 C4 H9 115.314

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