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Geometry for CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-) 1A C1

1910171554
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8 INChIKey=AJDIZQLSFPQPEY-UHFFFAOYSA-N

B1B95/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5707 0.1530 0.3162   -0.5690 0.1573 0.3171
C2 -0.7134 -0.5323 -0.2333   0.7098 -0.5371 -0.2332
F3 0.4551 0.2546 1.6460   -0.4494 0.2630 1.6463
Cl4 1.9675 -0.8685 -0.0666   -1.9725 -0.8577 -0.0584
Cl5 0.7594 1.7602 -0.3892   -0.7506 1.7630 -0.3936
Cl6 -2.1607 0.3700 0.2360   2.1634 0.3588 0.2291
F7 -0.6437 -0.6208 -1.5596   0.6362 -0.6299 -1.5590
F8 -0.7857 -1.7643 0.2734   0.7766 -1.7676 0.2777
Atom - Atom Distances (Å)
  C1 C2 F3 Cl4 Cl5 Cl6 F7 F8
C1 1.5557 1.3387 1.7723 1.7653 2.7412 2.3647 2.3490
C2 1.5557 2.3486 2.7070 2.7292 1.7690 1.3311 1.3341
F3 1.3387 2.3486 2.5460 2.5498 2.9739 3.4999 2.7385
Cl4 1.7723 2.7070 2.5460 2.9109 4.3207 3.0181 2.9152
Cl5 1.7653 2.7292 2.5498 2.9109 3.2940 3.0012 3.9049
Cl6 2.7412 1.7690 2.9739 4.3207 3.2940 2.5509 2.5392
F7 2.3647 1.3311 3.4999 3.0181 3.0012 2.5509 2.1651
F8 2.3490 1.3341 2.7385 2.9152 3.9049 2.5392 2.1651
Maximum atom distance is 4.3207Å between atoms Cl4 and Cl6.
picture of Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 110.913 C1 C2 F7 109.754
C1 C2 F8 108.508 C2 C1 F3 108.238
C2 C1 Cl4 108.685 C2 C1 Cl5 110.376
F3 C1 Cl4 109.046 F3 C1 Cl5 109.700
Cl4 C1 Cl5 110.742 Cl6 C2 F7 109.942
Cl6 C2 F8 109.019 F7 C2 F8 108.656

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