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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

MP3=FULL/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2835 0.0000   0.2633 -0.1051 0.0000
C2 1.3047 -0.1045 0.0000   0.3868 1.2504 0.0000
C3 1.2925 -1.5657 0.0000   -0.9747 1.7810 0.0000
C4 -0.0141 -1.9554 0.0000   -1.8212 0.7121 0.0000
O5 -0.8582 -0.8198 0.0000   -1.0796 -0.4929 0.0000
Cl6 -0.7317 1.8345 0.0000   1.4322 -1.3599 0.0000
H7 2.1662 0.5431 0.0000   1.3078 1.8103 0.0000
H8 2.1568 -2.2112 0.0000   -1.2536 2.8231 0.0000
H9 -0.5169 -2.9067 0.0000   -2.8911 0.5980 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3612 2.2561 2.2389 1.3977 1.7149 2.1817 3.2977 3.2318
C2 1.3612 1.4612 2.2726 2.2781 2.8119 1.0778 2.2724 3.3422
C3 2.2561 1.4612 1.3634 2.2763 3.9571 2.2826 1.0787 2.2521
C4 2.2389 2.2726 1.3634 1.4149 3.8572 3.3160 2.1859 1.0760
O5 1.3977 2.2781 2.2763 1.4149 2.6573 3.3173 3.3205 2.1146
Cl6 1.7149 2.8119 3.9571 3.8572 2.6573 3.1726 4.9710 4.7460
H7 2.1817 1.0778 2.2826 3.3160 3.3173 3.1726 2.7543 4.3704
H8 3.2977 2.2724 1.0787 2.1859 3.3205 4.9710 2.7543 2.7627
H9 3.2318 3.3422 2.2521 1.0760 2.1146 4.7460 4.3704 2.7627
Maximum atom distance is 4.9710Å 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 106.085 C1 O5 C4 105.500
C2 C1 O5 111.314 C2 C1 Cl6 131.821
C2 C3 C4 107.086 C3 C4 O5 110.016
O5 C1 Cl6 116.866
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.503 C2 C3 H8 126.274
C3 C2 H7 127.413 C3 C4 H9 134.467
C4 C3 H8 126.640 O5 C4 H9 115.517

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