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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

HF/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2639 0.0000   0.2401 -0.1095 0.0000
C2 1.3199 -0.0852 0.0000   0.4701 1.2363 0.0000
C3 1.3321 -1.5473 0.0000   -0.8551 1.8540 0.0000
C4 0.0249 -1.9517 0.0000   -1.7655 0.8324 0.0000
O5 -0.8063 -0.8425 0.0000   -1.1011 -0.3841 0.0000
Cl6 -0.7945 1.8334 0.0000   1.3385 -1.4835 0.0000
H7 2.1581 0.5787 0.0000   1.4219 1.7235 0.0000
H8 2.1953 -2.1802 0.0000   -1.0729 2.9020 0.0000
H9 -0.4590 -2.9038 0.0000   -2.8325 0.7872 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3653 2.2483 2.2157 1.3690 1.7591 2.1809 3.2853 3.2008
C2 1.3653 1.4621 2.2718 2.2571 2.8551 1.0692 2.2706 3.3331
C3 2.2483 1.4621 1.3684 2.2516 3.9939 2.2808 1.0704 2.2468
C4 2.2157 2.2718 1.3684 1.3861 3.8728 3.3096 2.1824 1.0680
O5 1.3690 2.2571 2.2516 1.3861 2.6759 3.2875 3.2862 2.0904
Cl6 1.7591 2.8551 3.9939 3.8728 2.6759 3.2081 5.0048 4.7491
H7 2.1809 1.0692 2.2808 3.3096 3.2875 3.2081 2.7592 4.3562
H8 3.2853 2.2706 1.0704 2.1824 3.2862 5.0048 2.7592 2.7511
H9 3.2008 3.3331 2.2468 1.0680 2.0904 4.7491 4.3562 2.7511
Maximum atom distance is 5.0048Å 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 105.289 C1 O5 C4 107.068
C2 C1 O5 111.272 C2 C1 Cl6 131.660
C2 C3 C4 106.715 C3 C4 O5 109.655
O5 C1 Cl6 117.068
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.806 C2 C3 H8 126.731
C3 C2 H7 127.905 C3 C4 H9 134.133
C4 C3 H8 126.554 O5 C4 H9 116.212

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