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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

mPW1PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2652 0.0000   0.2451 -0.1011 0.0000
C2 1.3094 -0.1030 0.0000   0.4042 1.2497 0.0000
C3 1.2914 -1.5352 0.0000   -0.9266 1.7793 0.0000
C4 -0.0174 -1.9015 0.0000   -1.7644 0.7092 0.0000
O5 -0.8206 -0.8028 0.0000   -1.0551 -0.4524 0.0000
Cl6 -0.7481 1.7980 0.0000   1.3767 -1.3774 0.0000
H7 2.1664 0.5606 0.0000   1.3446 1.7888 0.0000
H8 2.1481 -2.2016 0.0000   -1.2158 2.8254 0.0000
H9 -0.5321 -2.8550 0.0000   -2.8421 0.5971 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3602 2.2157 2.1668 1.3468 1.7056 2.1864 3.2710 3.1652
C2 1.3602 1.4324 2.2350 2.2420 2.8013 1.0839 2.2600 3.3113
C3 2.2157 1.4324 1.3591 2.2354 3.9077 2.2712 1.0853 2.2510
C4 2.1668 2.2350 1.3591 1.3610 3.7710 3.2911 2.1862 1.0835
O5 1.3468 2.2420 2.2354 1.3610 2.6018 3.2835 3.2817 2.0724
Cl6 1.7056 2.8013 3.9077 3.7710 2.6018 3.1663 4.9381 4.6580
H7 2.1864 1.0839 2.2712 3.2911 3.2835 3.1663 2.7623 4.3530
H8 3.2710 2.2600 1.0853 2.1862 3.2817 4.9381 2.7623 2.7587
H9 3.1652 3.3113 2.2510 1.0835 2.0724 4.6580 4.3530 2.7587
Maximum atom distance is 4.9381Å 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 104.985 C1 O5 C4 106.295
C2 C1 O5 111.834 C2 C1 Cl6 131.720
C2 C3 C4 106.356 C3 C4 O5 110.531
O5 C1 Cl6 116.447
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.542 C2 C3 H8 127.155
C3 C2 H7 128.473 C3 C4 H9 133.999
C4 C3 H8 126.489 O5 C4 H9 115.469

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