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Geometry for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-) 1A' CS

1910171554
InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2 INChIKey=VEZJSKSPVQQGIS-UHFFFAOYSA-N

MP2=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6043 0.0000   -0.0284 -0.6036 0.0000
C2 0.9818 -0.5442 0.0000   -0.9552 0.5897 0.0000
Cl3 -1.6622 -0.0263 0.0000   1.6616 -0.0518 0.0000
F4 2.2643 -0.0028 0.0000   -2.2616 0.1091 0.0000
H5 0.1350 1.2172 0.8851   -0.1920 -1.2095 0.8851
H6 0.1350 1.2172 -0.8851   -0.1920 -1.2095 -0.8851
H7 0.8590 -1.1612 0.8880   -0.8035 1.2003 0.8880
H8 0.8590 -1.1612 -0.8880   -0.8035 1.2003 -0.8880
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5110 1.7778 2.3442 1.0850 1.0850 2.1549 2.1549
C2 1.5110 2.6943 1.3920 2.1455 2.1455 1.0883 1.0883
Cl3 1.7778 2.6943 3.9265 2.3579 2.3579 2.9040 2.9040
F4 2.3442 1.3920 3.9265 2.6088 2.6088 2.0262 2.0262
H5 1.0850 2.1455 2.3579 2.6088 1.7702 2.4862 3.0537
H6 1.0850 2.1455 2.3579 2.6088 1.7702 3.0537 2.4862
H7 2.1549 1.0883 2.9040 2.0262 2.4862 3.0537 1.7760
H8 2.1549 1.0883 2.9040 2.0262 3.0537 2.4862 1.7760
Maximum atom distance is 3.9265Å between atoms Cl3 and F4.
picture of Ethane, 1-chloro-2-fluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 107.637 C2 C1 Cl3 109.750
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.952 C1 C2 H8 110.952
C2 C1 H5 110.399 C2 C1 H6 110.399
Cl3 C1 H5 108.461 Cl3 C1 H6 108.461
F4 C2 H7 108.936 F4 C2 H8 108.936
H5 C1 H6 109.321 H7 C2 H8 109.370

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