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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

B3PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2664 0.0000   0.2462 -0.1019 0.0000
C2 1.3099 -0.0990 0.0000   0.4096 1.2481 0.0000
C3 1.2985 -1.5306 0.0000   -0.9175 1.7852 0.0000
C4 -0.0072 -1.9055 0.0000   -1.7633 0.7222 0.0000
O5 -0.8184 -0.8082 0.0000   -1.0598 -0.4470 0.0000
Cl6 -0.7566 1.7976 0.0000   1.3714 -1.3867 0.0000
H7 2.1621 0.5633 0.0000   1.3475 1.7821 0.0000
H8 2.1561 -2.1879 0.0000   -1.1968 2.8291 0.0000
H9 -0.5148 -2.8570 0.0000   -2.8367 0.6172 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3599 2.2170 2.1719 1.3508 1.7079 2.1823 3.2669 3.1656
C2 1.3599 1.4316 2.2357 2.2434 2.8049 1.0793 2.2538 3.3070
C3 2.2170 1.4316 1.3585 2.2368 3.9115 2.2650 1.0806 2.2467
C4 2.1719 2.2357 1.3585 1.3646 3.7782 3.2864 2.1817 1.0785
O5 1.3508 2.2434 2.2368 1.3646 2.6065 3.2809 3.2790 2.0712
Cl6 1.7079 2.8049 3.9115 3.7782 2.6065 3.1689 4.9364 4.6609
H7 2.1823 1.0793 2.2650 3.2864 3.2809 3.1689 2.7512 4.3433
H8 3.2669 2.2538 1.0806 2.1817 3.2790 4.9364 2.7512 2.7535
H9 3.1656 3.3070 2.2467 1.0785 2.0712 4.6609 4.3433 2.7535
Maximum atom distance is 4.9364Å 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 105.130 C1 O5 C4 106.231
C2 C1 O5 111.707 C2 C1 Cl6 131.884
C2 C3 C4 106.478 C3 C4 O5 110.454
O5 C1 Cl6 116.410
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.559 C2 C3 H8 127.013
C3 C2 H7 128.311 C3 C4 H9 134.100
C4 C3 H8 126.509 O5 C4 H9 115.445

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