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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

BLYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2701 0.0000   0.2488 -0.1051 0.0000
C2 1.3168 -0.0946 0.0000   0.4253 1.2499 0.0000
C3 1.3177 -1.5334 0.0000   -0.8998 1.8105 0.0000
C4 0.0126 -1.9301 0.0000   -1.7731 0.7627 0.0000
O5 -0.8249 -0.8249 0.0000   -1.0808 -0.4389 0.0000
Cl6 -0.7735 1.8131 0.0000   1.3692 -1.4181 0.0000
H7 2.1677 0.5719 0.0000   1.3703 1.7743 0.0000
H8 2.1851 -2.1808 0.0000   -1.1587 2.8615 0.0000
H9 -0.4871 -2.8875 0.0000   -2.8494 0.6749 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3664 2.2336 2.2002 1.3709 1.7260 2.1886 3.2836 3.1949
C2 1.3664 1.4388 2.2517 2.2628 2.8300 1.0808 2.2597 3.3248
C3 2.2336 1.4388 1.3641 2.2567 3.9462 2.2704 1.0824 2.2563
C4 2.2002 2.2517 1.3641 1.3867 3.8249 3.3022 2.1869 1.0799
O5 1.3709 2.2628 2.2567 1.3867 2.6385 3.3025 3.3013 2.0901
Cl6 1.7260 2.8300 3.9462 3.8249 2.6385 3.1924 4.9704 4.7093
H7 2.1886 1.0808 2.2704 3.3022 3.3025 3.1924 2.7528 4.3606
H8 3.2836 2.2597 1.0824 2.1869 3.3013 4.9704 2.7528 2.7640
H9 3.1949 3.3248 2.2563 1.0799 2.0901 4.7093 4.3606 2.7640
Maximum atom distance is 4.9704Å 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 105.515 C1 O5 C4 105.857
C2 C1 O5 111.511 C2 C1 Cl6 132.105
C2 C3 C4 106.873 C3 C4 O5 110.244
O5 C1 Cl6 116.384
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.447 C2 C3 H8 126.776
C3 C2 H7 128.038 C3 C4 H9 134.469
C4 C3 H8 126.351 O5 C4 H9 115.287

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