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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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2658 0.0000   0.2456 -0.1016 0.0000
C2 1.3118 -0.1035 0.0000   0.4057 1.2518 0.0000
C3 1.2945 -1.5372 0.0000   -0.9258 1.7837 0.0000
C4 -0.0162 -1.9059 0.0000   -1.7674 0.7134 0.0000
O5 -0.8225 -0.8051 0.0000   -1.0584 -0.4524 0.0000
Cl6 -0.7502 1.8017 0.0000   1.3783 -1.3818 0.0000
H7 2.1704 0.5607 0.0000   1.3476 1.7914 0.0000
H8 2.1534 -2.2034 0.0000   -1.2132 2.8320 0.0000
H9 -0.5316 -2.8607 0.0000   -2.8467 0.6020 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3628 2.2195 2.1717 1.3503 1.7093 2.1904 3.2762 3.1714
C2 1.3628 1.4338 2.2388 2.2467 2.8074 1.0855 2.2622 3.3167
C3 2.2195 1.4338 1.3615 2.2400 3.9152 2.2734 1.0870 2.2553
C4 2.1717 2.2388 1.3615 1.3645 3.7796 3.2963 2.1899 1.0851
O5 1.3503 2.2467 2.2400 1.3645 2.6078 3.2899 3.2880 2.0761
Cl6 1.7093 2.8074 3.9152 3.7796 2.6078 3.1733 4.9468 4.6676
H7 2.1904 1.0855 2.2734 3.2963 3.2899 3.1733 2.7641 4.3597
H8 3.2762 2.2622 1.0870 2.1899 3.2880 4.9468 2.7641 2.7643
H9 3.1714 3.3167 2.2553 1.0851 2.0761 4.6676 4.3597 2.7643
Maximum atom distance is 4.9468Å 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 105.028 C1 O5 C4 106.250
C2 C1 O5 111.805 C2 C1 Cl6 131.753
C2 C3 C4 106.407 C3 C4 O5 110.511
O5 C1 Cl6 116.442
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.553 C2 C3 H8 127.104
C3 C2 H7 128.420 C3 C4 H9 134.075
C4 C3 H8 126.489 O5 C4 H9 115.415

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